data_2igr_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 2igr _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 ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.438 0.637 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.3 -28.58 65.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.443 -0.786 . . . . 0.0 109.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -38.0 72.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 108.864 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -69.29 -31.58 70.16 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.06 -33.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -47.76 71.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.554 0.692 . . . . 0.0 109.353 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 17.1 mmtt -73.96 -17.91 60.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.646 -0.659 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.05 -28.52 60.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.379 -0.826 . . . . 0.0 109.295 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -84.53 -56.08 3.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.372 -0.83 . . . . 0.0 109.309 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -58.5 -24.61 60.9 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.61 -0.681 . . . . 0.0 109.424 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.2 p -86.28 -33.42 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.175 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.472 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -66.99 -36.49 82.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.505 -0.747 . . . . 0.0 109.321 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.59 67.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.395 -0.815 . . . . 0.0 109.327 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -69.08 -38.97 79.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.405 -0.81 . . . . 0.0 109.527 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.514 HG21 ' N ' ' A' ' 19' ' ' GLU . 15.6 tt -75.4 -28.06 19.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 O-C-N 121.487 -0.758 . . . . 0.0 109.414 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' N ' HG21 ' A' ' 18' ' ' ILE . 44.8 tt0 -50.3 -44.3 54.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -73.33 -20.97 60.67 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 18' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.503 -0.748 . . . . 0.0 109.18 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.459 0.647 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -28.75 66.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.463 -0.773 . . . . 0.0 109.495 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -60.11 -36.6 77.81 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.557 -0.857 . . . . 0.0 108.803 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.422 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 7.2 mt -74.08 -33.41 35.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.65 -46.85 74.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.532 0.682 . . . . 0.0 109.295 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 1.3 mttm -80.31 -17.89 50.76 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.656 -0.653 . . . . 0.0 109.351 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' O ' HG13 ' A' ' 14' ' ' VAL . 3.3 mtpt -64.97 -28.51 69.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 109.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -57.3 3.19 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.342 -0.849 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -23.67 60.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.584 -0.698 . . . . 0.0 109.415 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.527 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.8 p -86.11 -33.42 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.282 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.08 -36.61 82.36 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.0 109.424 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -62.96 -23.67 67.52 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.504 -0.747 . . . . 0.0 109.31 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -67.8 -35.59 78.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.43 -0.794 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' ALA . 18.7 mm -71.03 -37.83 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.479 -0.763 . . . . 0.0 109.509 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -40.82 40.28 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -70.89 -24.97 62.59 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.541 -0.725 . . . . 0.0 109.195 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.493 0.663 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -28.88 69.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.437 -0.789 . . . . 0.0 109.396 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -63.33 -34.53 77.9 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.68 -32.4 71.0 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.76 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -74.21 -33.58 35.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.64 -40.5 88.73 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.18 -18.59 38.82 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.527 -0.733 . . . . 0.0 109.307 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -65.7 -28.45 69.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -82.05 -54.28 5.42 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.38 -0.825 . . . . 0.0 109.543 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -58.16 -28.24 64.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.494 -0.754 . . . . 0.0 109.534 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 22.4 m -83.9 -32.84 8.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.433 -0.792 . . . . 0.0 108.919 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 7.1 t80 -63.32 -36.8 84.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.467 -0.77 . . . . 0.0 109.313 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -23.93 64.25 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.566 -0.709 . . . . 0.0 109.123 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.457 -0.777 . . . . 0.0 109.242 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.425 HG22 HD11 ' A' ' 18' ' ' ILE . 30.6 mt -63.0 -38.57 82.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -49.86 -40.64 43.13 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -70.85 -25.09 62.67 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.441 -0.787 . . . . 0.0 109.145 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.364 0.602 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.96 -28.66 66.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.438 -0.789 . . . . 0.0 109.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -37.39 74.01 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.636 -0.826 . . . . 0.0 108.973 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -69.27 -31.81 70.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.428 HG22 HD12 ' A' ' 8' ' ' ILE . 7.2 mt -74.25 -33.29 34.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.95 -44.97 79.21 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.494 0.664 . . . . 0.0 109.45 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 12.5 tttp -76.39 -19.13 58.44 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 2.0 ttmt -71.04 -28.83 64.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.331 -0.856 . . . . 0.0 109.133 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.48 -52.32 5.42 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.68 -25.99 63.39 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.16 -33.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.81 -36.85 81.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.195 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -23.57 67.41 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.535 -0.728 . . . . 0.0 109.14 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 18.0 mttt -66.44 -44.47 82.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.423 -0.798 . . . . 0.0 109.344 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 15' ' ' PHE . 16.3 pt -75.35 -26.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.496 -0.752 . . . . 0.0 109.446 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -41.24 72.94 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 108.584 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -71.42 -24.24 62.0 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.474 0 O-C-N 121.467 -0.771 . . . . 0.0 109.094 179.507 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.482 0.658 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.65 -28.47 69.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.472 -0.767 . . . . 0.0 109.583 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -56.85 -38.05 72.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 108.902 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -69.15 -31.65 70.46 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 mm -74.05 -33.23 35.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.602 0.715 . . . . 0.0 109.326 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 8.5 mtpt -65.85 -22.0 66.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.549 -0.719 . . . . 0.0 109.196 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -77.09 -28.01 54.39 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.402 -0.811 . . . . 0.0 109.108 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.501 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -83.98 -56.62 3.58 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -58.42 -24.84 61.23 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.589 -0.694 . . . . 0.0 109.391 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.29 -33.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.333 -0.855 . . . . 0.0 109.152 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.63 -36.63 81.29 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.511 -0.743 . . . . 0.0 109.47 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.62 -30.01 69.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.418 -0.801 . . . . 0.0 109.351 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -70.34 -36.28 74.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.43 -0.794 . . . . 0.0 109.351 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' ALA . 12.1 mt -75.36 -37.68 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.618 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -40.27 38.08 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.894 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -69.06 -27.04 65.27 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.459 -0.775 . . . . 0.0 109.0 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.466 -0.771 . . . . 0.0 109.262 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.401 0.619 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.69 -28.62 69.54 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.451 -0.78 . . . . 0.0 109.463 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -57.51 -37.36 72.86 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.028 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -69.18 -31.85 70.76 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 mt -74.4 -33.25 32.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.59 -42.94 86.2 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.59 0.709 . . . . 0.0 109.215 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -70.5 -21.91 62.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.551 -0.718 . . . . 0.0 109.311 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' O ' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.78 -28.29 58.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.058 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -85.11 -55.24 4.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.474 -0.767 . . . . 0.0 109.142 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -58.68 -25.63 63.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -84.79 -33.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.05 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -65.67 -36.73 84.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.536 -0.727 . . . . 0.0 109.294 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -63.71 -23.57 67.42 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.219 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -69.84 -47.31 63.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 109.239 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.2 tt -71.96 -26.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.6 -0.687 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.418 ' N ' HG21 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -50.36 -44.12 54.49 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.522 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -72.61 -21.95 61.04 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.512 -0.743 . . . . 0.0 109.236 179.733 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.567 0.699 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -27.77 62.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.453 -0.779 . . . . 0.0 109.438 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -38.76 71.03 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 108.845 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -69.14 -31.47 70.17 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.414 HD12 HG23 ' A' ' 8' ' ' ILE . 22.6 mt -73.77 -32.98 36.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -53.27 41.65 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.497 0.665 . . . . 0.0 109.571 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -20.14 64.2 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.415 -0.803 . . . . 0.0 109.074 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -76.34 -27.97 56.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -57.06 3.96 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.478 -0.764 . . . . 0.0 109.469 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -34.02 70.87 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.54 -0.725 . . . . 0.0 109.853 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 ' O ' ' A' ' 11' ' ' LYS . 9.8 p -74.07 -33.0 34.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.073 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.465 ' O ' HG13 ' A' ' 18' ' ' ILE . 1.1 m-85 -65.99 -36.67 83.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.458 -0.776 . . . . 0.0 109.395 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -64.25 -23.91 67.48 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.45 -0.781 . . . . 0.0 109.418 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HG3' ' HA ' ' A' ' 14' ' ' VAL . 4.1 mmtm -70.31 -45.93 65.28 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.518 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 15' ' ' PHE . 3.9 pt -75.37 -27.25 19.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.436 -0.79 . . . . 0.0 109.723 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -58.1 -40.42 81.12 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.289 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -24.07 61.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.489 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.546 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.404 0.621 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.23 -28.65 69.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.351 -0.843 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -61.02 -35.0 75.72 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.304 -0.873 . . . . 0.0 109.047 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.445 HD13 HG22 ' A' ' 8' ' ' ILE . 9.7 mm -74.77 -33.9 32.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.34 -37.71 83.72 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.533 0.682 . . . . 0.0 109.227 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.01 -19.68 34.09 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.625 -0.672 . . . . 0.0 109.443 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -67.06 -28.99 68.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 0.0 109.212 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -79.29 -47.37 15.99 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.511 -0.743 . . . . 0.0 109.196 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -28.69 64.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 15' ' ' PHE . 8.2 p -86.47 -32.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.504 ' N ' HG12 ' A' ' 14' ' ' VAL . 22.0 t80 -59.55 -36.4 76.1 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.54 0.686 . . . . 0.0 109.185 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -25.8 64.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.459 -0.775 . . . . 0.0 109.11 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -70.21 -35.87 74.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.431 -0.793 . . . . 0.0 109.575 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.52 HG21 ' N ' ' A' ' 19' ' ' GLU . 2.6 tt -73.56 -26.48 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.403 -0.81 . . . . 0.0 109.557 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.52 ' N ' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -53.79 -42.43 68.32 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.511 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -23.31 61.51 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.514 -0.741 . . . . 0.0 109.194 179.681 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.512 0.672 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -59.66 -28.49 67.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 109.566 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -63.93 -32.95 74.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.165 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 4.6 tttt -70.03 -32.78 71.09 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.79 -33.46 30.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.51 84.52 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.597 0.713 . . . . 0.0 109.322 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -82.42 -18.04 43.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.461 -0.775 . . . . 0.0 109.619 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -71.78 -28.75 63.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.196 -0.94 . . . . 0.0 109.235 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -71.94 -48.17 47.16 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.414 -0.804 . . . . 0.0 109.134 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.77 -38.73 75.94 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.55 -0.718 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.509 ' CG1' ' HA ' ' A' ' 11' ' ' LYS . 5.1 p -73.06 -33.6 43.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' O ' ' CG2' ' A' ' 18' ' ' ILE . 2.0 m-30 -68.07 -36.38 79.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.534 -0.729 . . . . 0.0 109.277 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -23.5 65.67 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -35.5 79.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.423 -0.798 . . . . 0.0 109.573 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.524 HG21 ' N ' ' A' ' 19' ' ' GLU . 1.4 tt -73.98 -26.83 21.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.842 . . . . 0.0 109.598 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.524 ' N ' HG21 ' A' ' 18' ' ' ILE . 6.1 tt0 -50.89 -45.19 60.08 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -19.45 59.84 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.505 0 O-C-N 121.426 -0.796 . . . . 0.0 109.071 179.631 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.379 0.609 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.03 -28.59 69.9 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.426 -0.796 . . . . 0.0 109.437 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -36.68 73.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.012 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -32.04 70.97 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 mt -74.44 -33.8 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.87 -41.4 87.34 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.612 0.72 . . . . 0.0 109.391 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -73.32 -20.62 60.75 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.6 -0.687 . . . . 0.0 109.351 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' HG12 ' A' ' 14' ' ' VAL . 5.9 tttt -76.61 -28.34 56.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.415 -0.803 . . . . 0.0 109.149 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -54.71 4.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.447 -0.783 . . . . 0.0 109.164 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -58.52 -33.45 69.87 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.574 -0.704 . . . . 0.0 109.218 179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -75.9 -33.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.432 -0.792 . . . . 0.0 109.188 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -60.88 -36.97 80.59 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.558 -0.714 . . . . 0.0 109.401 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -70.65 -30.43 67.05 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -71.0 -45.15 64.49 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.465 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 tt -75.61 -27.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.481 -0.762 . . . . 0.0 109.704 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -51.37 -44.39 62.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 108.567 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.7 -20.99 60.38 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.659 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . . . . . . 0 C--N 1.301 -1.504 0 O-C-N 121.417 -0.802 . . . . 0.0 109.259 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.445 0.64 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -29.97 70.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.0 109.603 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 10.3 mttm -69.9 -31.66 69.57 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.431 HG23 HD13 ' A' ' 8' ' ' ILE . 45.5 mt -73.89 -33.25 36.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.3 -49.44 67.07 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.632 0.73 . . . . 0.0 109.106 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.42 -19.69 61.54 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.558 -0.714 . . . . 0.0 109.303 179.818 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 16.7 tttt -66.78 -31.6 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.133 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.55 -50.48 44.46 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.427 -0.795 . . . . 0.0 109.057 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' NZ ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -57.79 -23.18 51.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.476 HG22 ' NZ ' ' A' ' 13' ' ' LYS . 40.4 t -85.06 -39.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 33.1 t80 -63.43 -36.3 83.28 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.583 0.706 . . . . 0.0 109.302 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.49 -25.06 68.08 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.442 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -70.44 -44.47 67.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.351 -0.843 . . . . 0.0 109.697 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 15' ' ' PHE . 19.9 pt -66.62 -26.45 37.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.397 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.01 -42.37 69.01 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.184 -0.948 . . . . 0.0 108.487 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -23.35 61.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.51 -0.744 . . . . 0.0 109.19 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.512 0.673 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -28.56 69.76 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.525 -0.734 . . . . 0.0 109.503 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -35.96 78.25 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 108.854 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -31.91 70.06 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 8' ' ' ILE . 39.6 mt -74.38 -33.34 33.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.55 -46.99 74.25 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.688 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -70.63 -23.27 62.51 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.405 -0.81 . . . . 0.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -75.59 -28.25 58.85 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.129 179.631 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -80.35 -49.49 11.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.492 -0.755 . . . . 0.0 109.163 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.31 -38.4 77.02 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.507 HG11 ' N ' ' A' ' 15' ' ' PHE . 10.3 p -72.39 -33.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.507 ' N ' HG11 ' A' ' 14' ' ' VAL . 2.3 t80 -66.72 -36.66 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.553 -0.717 . . . . 0.0 109.195 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.47 -23.7 62.95 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.405 -0.809 . . . . 0.0 109.381 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -70.03 -35.65 74.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.819 . . . . 0.0 109.5 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.532 HG21 ' N ' ' A' ' 19' ' ' GLU . 15.9 tt -72.77 -26.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.532 ' N ' HG21 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.34 -44.4 65.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.182 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -20.21 58.43 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.108 179.54 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.14 -28.72 69.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.501 -0.749 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -35.73 77.78 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.863 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.36 -32.05 70.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.21 -33.49 34.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.65 -43.64 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.546 0.688 . . . . 0.0 109.52 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.42 -24.27 46.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.479 -0.763 . . . . 0.0 109.573 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -74.99 -27.62 60.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 0.0 109.228 179.72 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -79.5 -49.81 11.7 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.384 -0.822 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' O ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.71 -39.08 76.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.433 -0.792 . . . . 0.0 109.037 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 11' ' ' LYS . 12.3 p -74.43 -32.61 31.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -62.39 -36.94 83.86 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.55 -0.719 . . . . 0.0 109.32 179.792 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -60.57 -33.49 72.79 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.564 -0.71 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -47.47 60.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.19 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.439 HG21 ' O ' ' A' ' 15' ' ' PHE . 5.6 tp -75.44 -26.45 18.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.619 -0.676 . . . . 0.0 109.459 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -54.54 -42.05 70.47 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.222 -0.924 . . . . 0.0 108.607 179.507 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -23.51 61.41 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.5 0 O-C-N 121.454 -0.779 . . . . 0.0 109.144 179.535 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.347 0.594 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -29.04 69.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.513 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -66.1 -33.71 76.39 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.257 -0.902 . . . . 0.0 108.718 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -70.15 -32.52 70.54 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -74.46 -32.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.36 -47.49 76.24 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.495 0.664 . . . . 0.0 109.612 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -75.59 -23.64 56.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.4 -0.812 . . . . 0.0 109.39 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -75.38 -27.87 59.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.392 -0.817 . . . . 0.0 109.115 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 12' ' ' TRP . 4.9 m95 -78.63 -50.03 12.19 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 109.413 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -30.05 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.564 -0.71 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.9 p -83.09 -33.04 9.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.2 t80 -62.8 -36.48 83.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.595 -0.69 . . . . 0.0 109.348 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.453 -0.779 . . . . 0.0 109.232 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -70.17 -45.23 67.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.547 -0.721 . . . . 0.0 109.219 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.44 HG21 ' HA ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -75.21 -27.82 19.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.544 -0.723 . . . . 0.0 109.516 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -41.98 71.99 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -74.33 -21.73 59.57 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.522 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.431 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.418 0.628 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -28.8 69.46 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.223 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -33.67 76.08 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 21.6 mttt -70.19 -32.18 69.99 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 mm -74.02 -33.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.47 -44.77 81.83 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.568 0.699 . . . . 0.0 109.297 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.3 mmtt -79.69 -17.62 53.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -69.15 -28.75 66.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.412 -0.805 . . . . 0.0 109.417 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -57.19 4.09 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.491 -0.756 . . . . 0.0 109.427 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.97 -20.59 39.26 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 10' ' ' LYS . 40.4 t -84.88 -39.18 13.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.724 0.773 . . . . 0.0 108.982 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -36.76 80.91 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.25 -24.78 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.537 -0.727 . . . . 0.0 109.224 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.27 -37.35 74.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.363 -0.836 . . . . 0.0 109.367 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 21' ' ' ALA . 15.2 mt -64.19 -43.48 97.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.608 -0.682 . . . . 0.0 109.374 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.91 -39.68 40.74 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -71.82 -24.53 61.73 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.144 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.467 HG21 ' N ' ' A' ' 5' ' ' PHE . 11.4 m . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.483 0.658 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.467 ' N ' HG21 ' A' ' 4' ' ' VAL . 40.2 m-85 -59.95 -28.47 67.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.521 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -56.95 -37.69 71.89 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.263 -0.898 . . . . 0.0 109.136 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.3 mttm -69.04 -31.61 70.52 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mm -74.84 -33.62 30.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.48 -52.46 64.42 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.4 0.619 . . . . 0.0 109.437 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -61.9 -25.28 67.47 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.518 -0.739 . . . . 0.0 109.075 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -75.61 -28.01 58.7 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.472 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -81.05 -51.85 8.04 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.585 -0.697 . . . . 0.0 109.235 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -29.7 66.09 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.602 -0.686 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.43 HG13 ' C ' ' A' ' 11' ' ' LYS . 8.9 p -82.69 -33.04 10.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 108.838 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE1' HD12 ' A' ' 18' ' ' ILE . 38.1 t80 -64.63 -36.67 84.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.603 0.716 . . . . 0.0 109.219 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -23.61 67.4 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.414 -0.804 . . . . 0.0 109.141 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -66.98 -39.62 87.21 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.488 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 15' ' ' PHE . 2.0 pt -75.11 -26.64 19.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.436 -0.79 . . . . 0.0 109.347 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.524 ' N ' HG13 ' A' ' 18' ' ' ILE . 6.8 tp10 -53.51 -42.65 67.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -22.29 60.79 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 O-C-N 121.463 -0.773 . . . . 0.0 109.154 179.616 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.448 0.642 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.4 -28.59 65.34 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 109.364 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.83 -35.43 78.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.362 -0.836 . . . . 0.0 108.879 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -32.15 70.66 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -74.19 -33.74 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.02 -40.86 87.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.93 -27.66 66.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -71.86 -29.02 63.93 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -57.42 4.42 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.89 63.34 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 10' ' ' LYS . 39.4 t -74.56 -41.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 18' ' ' ILE . 1.2 t80 -65.03 -36.3 83.94 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.628 0.728 . . . . 0.0 109.076 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -23.4 67.36 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.61 -0.682 . . . . 0.0 109.502 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -70.14 -34.97 73.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 0.0 109.613 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.551 HD13 ' CE1' ' A' ' 15' ' ' PHE . 2.0 pt -75.49 -26.65 18.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.577 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.507 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.1 -44.74 64.55 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.177 -0.952 . . . . 0.0 108.655 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.3 ptmt -76.0 -19.19 58.89 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.468 0 O-C-N 121.443 -0.786 . . . . 0.0 108.996 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.47 0.652 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.16 -28.25 69.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.496 -0.753 . . . . 0.0 109.498 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -56.71 -34.96 67.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 109.105 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -69.32 -32.58 71.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 8' ' ' ILE . 8.7 mt -74.97 -33.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.02 -35.87 80.86 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.576 0.703 . . . . 0.0 109.158 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -74.07 -27.21 60.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.628 -0.67 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HA ' HG21 ' A' ' 14' ' ' VAL . 20.0 tttp -71.51 -28.67 64.06 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -0.83 . . . . 0.0 109.044 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -72.57 -54.84 8.03 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.435 -0.79 . . . . 0.0 109.369 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.16 -48.0 81.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.581 -0.7 . . . . 0.0 109.693 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 14.6 m -58.99 -33.31 49.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 109.088 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' N ' HG23 ' A' ' 14' ' ' VAL . 64.8 t80 -66.14 -36.65 83.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.458 -0.776 . . . . 0.0 109.237 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -67.98 -23.47 65.04 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.563 -0.711 . . . . 0.0 109.159 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -70.02 -39.16 75.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 19' ' ' GLU . 7.9 tt -75.65 -26.92 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.492 -0.755 . . . . 0.0 109.705 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 18' ' ' ILE . 2.0 tt0 -57.49 -40.95 79.75 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.224 -0.922 . . . . 0.0 108.698 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -23.85 61.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 109.136 179.516 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.409 ' O ' HG11 ' A' ' 4' ' ' VAL . 98.6 t . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.442 0.639 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -63.76 -28.74 70.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.237 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -62.77 -35.58 80.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -69.56 -31.88 70.34 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.3 mt -73.67 -33.57 38.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -44.56 81.76 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.613 0.72 . . . . 0.0 109.172 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' O ' HG22 ' A' ' 14' ' ' VAL . 1.2 mttt -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.494 -0.753 . . . . 0.0 109.093 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -76.38 -28.07 56.63 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -48.73 30.6 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.514 -0.741 . . . . 0.0 109.371 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.95 68.22 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.576 -0.703 . . . . 0.0 109.175 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 27.6 m -81.05 -33.04 12.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.427 ' N ' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.14 -36.61 84.6 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.529 -0.732 . . . . 0.0 109.196 179.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -67.78 -27.59 66.88 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 109.007 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.46 73.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 0.0 109.031 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.9 mt -67.72 -37.98 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.557 -0.714 . . . . 0.0 109.376 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.01 -40.54 58.42 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -24.18 61.41 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.485 0 O-C-N 121.474 -0.766 . . . . 0.0 108.956 179.369 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 16.8 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.509 0.671 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -57.47 -27.81 62.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 0.0 109.355 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -37.64 71.12 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.191 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -68.86 -31.9 71.19 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 8' ' ' ILE . 9.0 mt -74.38 -33.45 33.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -66.69 -42.33 86.65 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.644 0.735 . . . . 0.0 109.077 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 19.2 pttt -81.14 -23.05 38.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.577 -0.702 . . . . 0.0 109.434 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' O ' HG12 ' A' ' 14' ' ' VAL . 1.1 tmtm? -62.68 -28.71 70.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 109.059 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -50.78 6.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -58.37 -29.77 66.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 11' ' ' LYS . 7.1 p -81.81 -34.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.527 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 56.5 t80 -68.11 -36.38 79.66 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -23.41 65.81 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 2.8 tppt? -68.34 -40.12 81.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.513 -0.742 . . . . 0.0 109.168 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 15' ' ' PHE . 20.5 pt -75.4 -28.37 20.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.606 -0.684 . . . . 0.0 109.24 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.15 -40.39 81.24 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -74.05 -22.79 59.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.361 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 mptt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 47.0 t-105 -66.63 -12.6 58.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.404 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.67 -24.69 66.31 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.409 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 m -64.0 -31.51 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.435 -0.79 . . . . 0.0 109.483 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.3 -28.58 65.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.443 -0.786 . . . . 0.0 109.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -38.0 72.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 108.864 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -69.29 -31.58 70.16 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.06 -33.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -47.76 71.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.554 0.692 . . . . 0.0 109.353 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 17.1 mmtt -73.96 -17.91 60.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.646 -0.659 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.05 -28.52 60.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.379 -0.826 . . . . 0.0 109.295 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -84.53 -56.08 3.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.372 -0.83 . . . . 0.0 109.309 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -58.5 -24.61 60.9 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.61 -0.681 . . . . 0.0 109.424 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.2 p -86.28 -33.42 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.175 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.472 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -66.99 -36.49 82.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.505 -0.747 . . . . 0.0 109.321 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.59 67.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.395 -0.815 . . . . 0.0 109.327 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -69.08 -38.97 79.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.405 -0.81 . . . . 0.0 109.527 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 22' ' ' GLY . 15.6 tt -75.4 -28.06 19.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 O-C-N 121.487 -0.758 . . . . 0.0 109.414 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' N ' HG21 ' A' ' 18' ' ' ILE . 44.8 tt0 -50.3 -44.3 54.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -73.33 -20.97 60.67 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 18' ' ' ILE . . . -97.18 -7.55 32.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.503 -0.748 . . . . 0.0 109.18 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 154.41 89.27 0.07 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 19' ' ' GLU . 36.2 Cg_endo -79.46 45.21 1.88 Allowed 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.726 2.284 . . . . 0.0 110.461 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -68.93 -9.81 53.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.112 -0.992 . . . . 0.0 109.447 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -87.34 -4.8 59.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.0 109.634 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -122.0 -11.87 8.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 109.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 m -67.2 -32.66 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 109.4 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -68.0 -27.41 66.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.494 -0.754 . . . . 0.0 109.435 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -78.13 -23.5 47.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.377 -0.827 . . . . 0.0 109.655 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -30.6 65.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 109.717 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 28' ' ' PHE . 2.4 pp -67.58 -36.12 75.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.382 -0.824 . . . . 0.0 109.556 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.94 -28.78 69.17 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.399 -0.813 . . . . 0.0 109.553 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -89.22 83.91 6.5 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.403 -0.811 . . . . 0.0 109.477 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.856 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.1 mttp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.337 0.589 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -69.7 -14.86 63.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.298 -0.876 . . . . 0.0 109.485 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 6.6 tttp -67.05 -24.86 66.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -58.0 -31.56 41.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.446 -0.784 . . . . 0.0 109.519 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -28.75 66.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.463 -0.773 . . . . 0.0 109.495 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.5 mtmt -60.11 -36.6 77.81 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.557 -0.857 . . . . 0.0 108.803 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.422 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 7.2 mt -74.08 -33.41 35.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.65 -46.85 74.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.532 0.682 . . . . 0.0 109.295 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 1.3 mttm -80.31 -17.89 50.76 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.656 -0.653 . . . . 0.0 109.351 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' O ' HG13 ' A' ' 14' ' ' VAL . 3.3 mtpt -64.97 -28.51 69.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 109.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -57.3 3.19 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.342 -0.849 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -23.67 60.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.584 -0.698 . . . . 0.0 109.415 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.527 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.8 p -86.11 -33.42 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.282 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.08 -36.61 82.36 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.0 109.424 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -62.96 -23.67 67.52 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.504 -0.747 . . . . 0.0 109.31 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -67.8 -35.59 78.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.43 -0.794 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 22' ' ' GLY . 18.7 mm -71.03 -37.83 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.479 -0.763 . . . . 0.0 109.509 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -40.82 40.28 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -70.89 -24.97 62.59 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -97.5 -7.88 30.47 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.541 -0.725 . . . . 0.0 109.195 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 85.88 159.4 32.15 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.88 2.09 8.24 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.667 2.244 . . . . 0.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 27' ' ' VAL . 6.0 ttmt -63.72 -12.15 32.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.208 -0.932 . . . . 0.0 109.454 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -85.23 -12.63 52.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.884 . . . . 0.0 109.45 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.78 -18.37 40.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.216 -0.927 . . . . 0.0 109.412 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 24' ' ' LYS . 8.0 p -79.14 -32.59 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 0.0 109.425 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -63.06 -27.57 69.49 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.536 -0.728 . . . . 0.0 109.493 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -77.99 -23.67 48.28 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.367 -0.833 . . . . 0.0 109.461 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -30.71 66.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.368 -0.833 . . . . 0.0 109.456 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.465 HG21 ' O ' ' A' ' 28' ' ' PHE . 1.1 tt -66.09 -36.44 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.395 -0.816 . . . . 0.0 109.456 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' N ' ' CG2' ' A' ' 31' ' ' ILE . 5.1 tt0 -63.16 -28.68 70.22 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.432 -0.793 . . . . 0.0 109.481 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -79.1 65.13 4.19 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.371 -0.83 . . . . 0.0 109.503 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.413 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.29 0.567 . . . . 0.0 109.519 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -69.86 -9.88 56.45 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.305 -0.872 . . . . 0.0 109.399 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -62.9 -24.55 67.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.282 -0.886 . . . . 0.0 109.519 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 85.5 t -54.74 -33.28 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.287 -0.883 . . . . 0.0 109.381 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -28.88 69.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.437 -0.789 . . . . 0.0 109.396 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.4 mttt -63.33 -34.53 77.9 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.68 -32.4 71.0 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.76 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -74.21 -33.58 35.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.64 -40.5 88.73 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.18 -18.59 38.82 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.527 -0.733 . . . . 0.0 109.307 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -65.7 -28.45 69.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -82.05 -54.28 5.42 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.38 -0.825 . . . . 0.0 109.543 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -58.16 -28.24 64.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.494 -0.754 . . . . 0.0 109.534 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 22.4 m -83.9 -32.84 8.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.433 -0.792 . . . . 0.0 108.919 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 7.1 t80 -63.32 -36.8 84.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.467 -0.77 . . . . 0.0 109.313 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -23.93 64.25 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.566 -0.709 . . . . 0.0 109.123 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.457 -0.777 . . . . 0.0 109.242 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' GLY . 30.6 mt -63.0 -38.57 82.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -49.86 -40.64 43.13 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -70.85 -25.09 62.67 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -97.64 -7.87 30.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.441 -0.787 . . . . 0.0 109.145 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -53.92 172.87 0.66 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.56 -7.96 16.95 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.543 2.162 . . . . 0.0 110.044 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -10.29 34.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.356 -0.84 . . . . 0.0 109.398 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -89.86 -13.7 35.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.416 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.17 -10.24 14.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.316 -0.865 . . . . 0.0 109.383 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -66.59 -32.86 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.325 -0.86 . . . . 0.0 109.412 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -76.1 -29.77 58.01 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.363 -0.836 . . . . 0.0 109.377 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -78.47 -23.96 46.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.377 -0.827 . . . . 0.0 109.406 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -30.62 67.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.437 -0.79 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.7 mt -68.76 -37.95 78.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.475 -0.766 . . . . 0.0 109.435 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -28.66 69.19 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.505 -0.747 . . . . 0.0 109.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.32 177.02 8.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.387 -0.82 . . . . 0.0 109.509 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.923 -1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.273 0.559 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -55.42 -18.39 6.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.296 -0.878 . . . . 0.0 109.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -54.88 -51.0 67.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.882 . . . . 0.0 109.393 179.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 p -49.21 -31.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.633 -0.667 . . . . 0.0 109.483 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.96 -28.66 66.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.438 -0.789 . . . . 0.0 109.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -57.93 -37.39 74.01 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.636 -0.826 . . . . 0.0 108.973 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -69.27 -31.81 70.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.428 HG22 HD12 ' A' ' 8' ' ' ILE . 7.2 mt -74.25 -33.29 34.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.95 -44.97 79.21 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.494 0.664 . . . . 0.0 109.45 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 12.5 tttp -76.39 -19.13 58.44 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 2.0 ttmt -71.04 -28.83 64.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.331 -0.856 . . . . 0.0 109.133 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.48 -52.32 5.42 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.68 -25.99 63.39 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.16 -33.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.81 -36.85 81.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.195 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -23.57 67.41 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.535 -0.728 . . . . 0.0 109.14 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 18.0 mttt -66.44 -44.47 82.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.423 -0.798 . . . . 0.0 109.344 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 22' ' ' GLY . 16.3 pt -75.35 -26.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.496 -0.752 . . . . 0.0 109.446 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -41.24 72.94 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 108.584 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -71.42 -24.24 62.0 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 22' ' ' GLY . . . -97.32 -7.99 30.74 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.467 -0.771 . . . . 0.0 109.094 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 45.83 94.53 0.01 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.63 -6.36 16.11 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.501 2.134 . . . . 0.0 110.383 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -11.88 35.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 0.0 109.414 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -13.93 59.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.47 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.9 -13.72 11.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 109.373 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.6 -32.58 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.307 -0.87 . . . . 0.0 109.389 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.3 -27.56 68.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.513 -0.742 . . . . 0.0 109.519 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -77.6 -26.49 50.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.0 109.4 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -61.11 -30.64 70.48 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.4 -0.812 . . . . 0.0 109.236 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 mt -65.72 -36.76 78.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.467 -0.771 . . . . 0.0 109.399 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.75 -28.82 67.14 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.469 -0.769 . . . . 0.0 109.433 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 41.12 3.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.808 . . . . 0.0 109.488 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -70.08 -13.26 62.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 109.481 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -24.88 65.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.23 -0.919 . . . . 0.0 109.392 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t -59.46 -31.57 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.333 -0.854 . . . . 0.0 109.408 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.65 -28.47 69.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.472 -0.767 . . . . 0.0 109.583 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -56.85 -38.05 72.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 108.902 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -69.15 -31.65 70.46 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 mm -74.05 -33.23 35.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.602 0.715 . . . . 0.0 109.326 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 8.5 mtpt -65.85 -22.0 66.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.549 -0.719 . . . . 0.0 109.196 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -77.09 -28.01 54.39 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.402 -0.811 . . . . 0.0 109.108 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.501 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -83.98 -56.62 3.58 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -58.42 -24.84 61.23 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.589 -0.694 . . . . 0.0 109.391 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.29 -33.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.333 -0.855 . . . . 0.0 109.152 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.63 -36.63 81.29 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.511 -0.743 . . . . 0.0 109.47 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.62 -30.01 69.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.418 -0.801 . . . . 0.0 109.351 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -70.34 -36.28 74.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.43 -0.794 . . . . 0.0 109.351 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' GLY . 12.1 mt -75.36 -37.68 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.618 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -40.27 38.08 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.894 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -69.06 -27.04 65.27 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.459 -0.775 . . . . 0.0 109.0 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' O ' ' HD3' ' A' ' 23' ' ' PRO . . . -97.91 -8.0 29.04 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.466 -0.771 . . . . 0.0 109.262 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -73.04 114.2 4.66 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 36.4 Cg_endo -79.38 46.35 2.19 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.419 2.079 . . . . 0.0 110.251 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.505 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . 2.5 ttmm -65.8 -9.96 33.27 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.238 -0.914 . . . . 0.0 109.492 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -12.84 50.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.267 -0.895 . . . . 0.0 109.386 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -120.69 -13.83 8.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.925 . . . . 0.0 109.427 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 24' ' ' LYS . 9.3 p -74.01 -32.48 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 0.0 109.506 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -61.44 -27.83 68.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.521 -0.737 . . . . 0.0 109.635 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -78.42 -23.33 46.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.349 -0.844 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.46 ' HG3' ' HA ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -57.7 -30.46 65.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 109.765 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.504 HD11 ' N ' ' A' ' 32' ' ' GLU . 2.5 pp -68.46 -36.02 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.407 -0.808 . . . . 0.0 109.701 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.504 ' N ' HD11 ' A' ' 31' ' ' ILE . 6.3 tt0 -63.4 -28.5 70.03 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.317 -0.865 . . . . 0.0 109.442 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -70.82 76.72 0.62 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.491 -0.755 . . . . 0.0 109.495 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.828 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.02 -10.9 60.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.442 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -24.83 66.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.154 -0.966 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.0 m -55.29 -31.67 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.404 -0.81 . . . . 0.0 109.396 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.69 -28.62 69.54 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.451 -0.78 . . . . 0.0 109.463 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -57.51 -37.36 72.86 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.028 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -69.18 -31.85 70.76 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 mt -74.4 -33.25 32.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.59 -42.94 86.2 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.59 0.709 . . . . 0.0 109.215 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -70.5 -21.91 62.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.551 -0.718 . . . . 0.0 109.311 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' O ' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.78 -28.29 58.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.058 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -85.11 -55.24 4.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.474 -0.767 . . . . 0.0 109.142 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -58.68 -25.63 63.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -84.79 -33.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.05 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -65.67 -36.73 84.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.536 -0.727 . . . . 0.0 109.294 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -63.71 -23.57 67.42 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.219 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -69.84 -47.31 63.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 109.239 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.2 tt -71.96 -26.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.6 -0.687 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.517 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -50.36 -44.12 54.49 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.522 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -72.61 -21.95 61.04 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.19 -7.53 32.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.512 -0.743 . . . . 0.0 109.236 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 178.76 69.49 0.06 OUTLIER Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.517 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 35.6 Cg_endo -78.15 -14.11 15.17 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.628 2.219 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' HA ' HG13 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -65.3 -9.93 28.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.296 -0.878 . . . . 0.0 109.438 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -86.35 -9.19 56.86 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.179 -0.95 . . . . 0.0 109.491 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -120.38 -2.04 10.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 0.0 109.557 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG13 ' HA ' ' A' ' 24' ' ' LYS . 27.4 m -68.67 -32.82 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.122 -0.986 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -70.79 -27.67 64.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.453 -0.78 . . . . 0.0 109.546 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -75.48 -23.07 56.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.369 -0.832 . . . . 0.0 109.524 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -30.54 64.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.354 -0.841 . . . . 0.0 109.442 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 4.8 pt -65.91 -41.83 90.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 108.835 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -69.71 -51.14 37.05 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER 40.11 30.43 0.07 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.879 -0.513 . . . . 0.0 109.835 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.405 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 2.4 mmtt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.415 0.626 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -69.73 -12.65 61.8 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.357 -0.84 . . . . 0.0 109.453 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -66.18 -27.66 68.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 0.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 1' ' ' LYS . 7.2 p -59.9 -31.25 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.443 -0.786 . . . . 0.0 109.427 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -27.77 62.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.453 -0.779 . . . . 0.0 109.438 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -38.76 71.03 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 108.845 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -69.14 -31.47 70.17 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.414 HD12 HG23 ' A' ' 8' ' ' ILE . 22.6 mt -73.77 -32.98 36.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -53.27 41.65 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.497 0.665 . . . . 0.0 109.571 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -20.14 64.2 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.415 -0.803 . . . . 0.0 109.074 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' HG11 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -76.34 -27.97 56.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -57.06 3.96 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.478 -0.764 . . . . 0.0 109.469 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -34.02 70.87 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.54 -0.725 . . . . 0.0 109.853 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG11 ' O ' ' A' ' 11' ' ' LYS . 9.8 p -74.07 -33.0 34.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.073 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.465 ' O ' HG13 ' A' ' 18' ' ' ILE . 1.1 m-85 -65.99 -36.67 83.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.458 -0.776 . . . . 0.0 109.395 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -64.25 -23.91 67.48 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.45 -0.781 . . . . 0.0 109.418 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HG3' ' HA ' ' A' ' 14' ' ' VAL . 4.1 mmtm -70.31 -45.93 65.28 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.518 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' GLY . 3.9 pt -75.37 -27.25 19.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.436 -0.79 . . . . 0.0 109.723 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.444 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -58.1 -40.42 81.12 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.289 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -24.07 61.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.2 -7.61 31.96 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 50.36 -166.51 0.49 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HB2' ' CE ' ' A' ' 26' ' ' LYS . 35.4 Cg_endo -77.97 3.77 6.72 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.643 2.229 . . . . 0.0 109.939 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' O ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -57.56 -16.28 9.66 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.391 -0.818 . . . . 0.0 109.54 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -80.83 6.08 14.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.265 -0.897 . . . . 0.0 109.549 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' CE ' ' HB2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -87.57 -20.53 26.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 109.515 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 24' ' ' LYS . 3.9 m -79.05 -32.49 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.287 -0.883 . . . . 0.0 109.267 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -27.54 68.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.536 -0.728 . . . . 0.0 109.538 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -69.41 -24.05 63.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.386 -0.821 . . . . 0.0 109.607 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -58.4 -31.11 67.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.313 -0.867 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.3 mt -71.33 -37.19 64.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.414 -0.804 . . . . 0.0 109.258 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.52 -28.67 70.01 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.554 -0.716 . . . . 0.0 109.329 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -104.96 -71.89 0.73 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.459 -0.776 . . . . 0.0 109.357 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.878 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.296 0.57 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.497 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 11.4 t-105 -67.43 -11.41 57.73 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.369 -0.832 . . . . 0.0 109.393 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -55.99 -24.65 40.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.364 -0.835 . . . . 0.0 109.471 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 m -55.28 -31.66 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.418 -0.802 . . . . 0.0 109.51 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.23 -28.65 69.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.351 -0.843 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -61.02 -35.0 75.72 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.304 -0.873 . . . . 0.0 109.047 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.445 HD13 HG22 ' A' ' 8' ' ' ILE . 9.7 mm -74.77 -33.9 32.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.34 -37.71 83.72 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.533 0.682 . . . . 0.0 109.227 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.01 -19.68 34.09 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.625 -0.672 . . . . 0.0 109.443 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -67.06 -28.99 68.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 0.0 109.212 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -79.29 -47.37 15.99 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.511 -0.743 . . . . 0.0 109.196 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -28.69 64.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 15' ' ' PHE . 8.2 p -86.47 -32.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.504 ' N ' HG12 ' A' ' 14' ' ' VAL . 22.0 t80 -59.55 -36.4 76.1 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.54 0.686 . . . . 0.0 109.185 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -25.8 64.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.459 -0.775 . . . . 0.0 109.11 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -70.21 -35.87 74.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.431 -0.793 . . . . 0.0 109.575 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.6 tt -73.56 -26.48 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.403 -0.81 . . . . 0.0 109.557 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.52 ' N ' HG21 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -53.79 -42.43 68.32 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.511 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -23.31 61.51 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.32 -7.55 31.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.514 -0.741 . . . . 0.0 109.194 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 93.05 113.67 2.22 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.69 -8.85 17.09 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.318 2.012 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -11.33 30.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.291 -0.881 . . . . 0.0 109.476 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -67.0 -12.14 59.01 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.213 -0.929 . . . . 0.0 109.43 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.67 -25.89 13.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 109.415 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -79.41 -32.58 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.419 -0.801 . . . . 0.0 109.424 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.86 -27.57 60.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.476 -0.765 . . . . 0.0 109.37 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -68.04 -24.81 65.13 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.844 . . . . 0.0 109.637 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -60.66 -30.62 70.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.374 -0.829 . . . . 0.0 109.229 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.451 HD11 HG21 ' A' ' 31' ' ' ILE . 35.8 mt -66.23 -36.9 78.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.553 -0.717 . . . . 0.0 109.46 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.5 -28.44 67.01 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.615 -0.678 . . . . 0.0 109.359 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -8.09 48.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.458 -0.776 . . . . 0.0 109.479 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.787 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.415 ' HG3' HG21 ' A' ' 4' ' ' VAL . 8.2 pttp . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.46 0.648 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.437 ' CD1' ' CD2' ' A' ' 5' ' ' PHE . 28.9 t90 -69.15 -5.86 25.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.443 -0.785 . . . . 0.0 109.703 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -65.35 -24.79 67.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 0.0 109.41 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.415 HG21 ' HG3' ' A' ' 1' ' ' LYS . 46.3 t -66.21 -31.53 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.399 -0.813 . . . . 0.0 109.297 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CD2' ' CD1' ' A' ' 2' ' ' TRP . 7.3 m-85 -59.66 -28.49 67.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 109.566 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -63.93 -32.95 74.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.165 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 4.6 tttt -70.03 -32.78 71.09 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.79 -33.46 30.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.51 84.52 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.597 0.713 . . . . 0.0 109.322 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -82.42 -18.04 43.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.461 -0.775 . . . . 0.0 109.619 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -71.78 -28.75 63.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.196 -0.94 . . . . 0.0 109.235 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -71.94 -48.17 47.16 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.414 -0.804 . . . . 0.0 109.134 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.467 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.77 -38.73 75.94 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.55 -0.718 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.509 ' CG1' ' HA ' ' A' ' 11' ' ' LYS . 5.1 p -73.06 -33.6 43.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' O ' ' CG2' ' A' ' 18' ' ' ILE . 2.0 m-30 -68.07 -36.38 79.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.534 -0.729 . . . . 0.0 109.277 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -23.5 65.67 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -35.5 79.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.423 -0.798 . . . . 0.0 109.573 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.524 HG21 ' N ' ' A' ' 19' ' ' GLU . 1.4 tt -73.98 -26.83 21.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.842 . . . . 0.0 109.598 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' N ' HG21 ' A' ' 18' ' ' ILE . 6.1 tt0 -50.89 -45.19 60.08 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -19.45 59.84 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.18 -7.23 36.31 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.426 -0.796 . . . . 0.0 109.071 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -129.59 141.87 13.04 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.67 5.25 5.73 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.472 2.115 . . . . 0.0 110.349 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -15.58 19.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.916 . . . . 0.0 109.424 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -11.41 58.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.336 -0.853 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -83.52 -13.69 53.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.0 109.683 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.95 -41.65 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.24 -27.38 56.73 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.625 -0.672 . . . . 0.0 109.46 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -76.55 -23.01 53.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.387 -0.82 . . . . 0.0 109.506 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -57.17 -30.54 64.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.316 -0.865 . . . . 0.0 109.534 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 28' ' ' PHE . 8.7 tp -71.31 -36.73 62.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -0.856 . . . . 0.0 109.486 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 31' ' ' ILE . 7.1 tp10 -69.36 -28.77 66.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.78 . . . . 0.0 109.611 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -98.27 131.41 44.62 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.446 -0.784 . . . . 0.0 109.482 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.422 ' O ' HG21 ' A' ' 4' ' ' VAL . 29.5 mtmm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.547 0.689 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -7.64 39.33 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.421 -0.799 . . . . 0.0 109.55 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -24.53 67.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 109.487 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 1' ' ' LYS . 11.2 m -66.04 -31.81 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.368 -0.832 . . . . 0.0 109.526 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.03 -28.59 69.9 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.426 -0.796 . . . . 0.0 109.437 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -36.68 73.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.012 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -32.04 70.97 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 mt -74.44 -33.8 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.87 -41.4 87.34 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.612 0.72 . . . . 0.0 109.391 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -73.32 -20.62 60.75 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.6 -0.687 . . . . 0.0 109.351 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' HG12 ' A' ' 14' ' ' VAL . 5.9 tttt -76.61 -28.34 56.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.415 -0.803 . . . . 0.0 109.149 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -54.71 4.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.447 -0.783 . . . . 0.0 109.164 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -58.52 -33.45 69.87 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.574 -0.704 . . . . 0.0 109.218 179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -75.9 -33.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.432 -0.792 . . . . 0.0 109.188 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -60.88 -36.97 80.59 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.558 -0.714 . . . . 0.0 109.401 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -70.65 -30.43 67.05 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -71.0 -45.15 64.49 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.465 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 tt -75.61 -27.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.481 -0.762 . . . . 0.0 109.704 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -51.37 -44.39 62.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 108.567 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.7 -20.99 60.38 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.659 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -97.4 -7.18 32.37 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.417 -0.802 . . . . 0.0 109.259 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 57.35 -174.21 2.05 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -77.37 2.47 7.68 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.503 2.136 . . . . 0.0 110.02 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -68.78 -9.88 53.49 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.29 -0.881 . . . . 0.0 109.538 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -15.91 35.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.262 -0.899 . . . . 0.0 109.526 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -10.67 60.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.263 -0.898 . . . . 0.0 109.492 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 m -74.5 -32.57 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.209 -0.932 . . . . 0.0 109.556 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -69.89 -28.96 66.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.819 . . . . 0.0 109.536 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -26.99 46.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.34 -0.85 . . . . 0.0 109.184 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -30.69 71.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.35 -0.844 . . . . 0.0 109.113 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 mt -64.36 -36.58 77.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.571 -0.706 . . . . 0.0 109.371 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.72 -28.62 66.0 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.601 -0.687 . . . . 0.0 109.387 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 14.7 tptp -80.83 -5.03 56.75 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.386 -0.821 . . . . 0.0 109.435 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.529 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 10.8 t-105 -65.52 -19.62 66.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.421 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 3.6 tptm -66.51 -27.6 67.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.411 -0.806 . . . . 0.0 109.176 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.82 -31.6 47.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.462 -0.774 . . . . 0.0 109.463 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -29.97 70.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.0 109.603 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 10.3 mttm -69.9 -31.66 69.57 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.431 HG23 HD13 ' A' ' 8' ' ' ILE . 45.5 mt -73.89 -33.25 36.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.3 -49.44 67.07 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.632 0.73 . . . . 0.0 109.106 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.42 -19.69 61.54 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.558 -0.714 . . . . 0.0 109.303 179.818 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 16.7 tttt -66.78 -31.6 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.133 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.55 -50.48 44.46 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.427 -0.795 . . . . 0.0 109.057 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' NZ ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -57.79 -23.18 51.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.476 HG22 ' NZ ' ' A' ' 13' ' ' LYS . 40.4 t -85.06 -39.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 33.1 t80 -63.43 -36.3 83.28 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.583 0.706 . . . . 0.0 109.302 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.49 -25.06 68.08 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.442 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -70.44 -44.47 67.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.351 -0.843 . . . . 0.0 109.697 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' A' ' 22' ' ' GLY . 19.9 pt -66.62 -26.45 37.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.397 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.01 -42.37 69.01 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.184 -0.948 . . . . 0.0 108.487 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -23.35 61.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' HD3' ' A' ' 23' ' ' PRO . . . -97.18 -7.5 32.29 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.51 -0.744 . . . . 0.0 109.19 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -112.76 92.36 0.63 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 35.8 Cg_endo -77.69 5.52 5.17 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.568 2.179 . . . . 0.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -17.76 6.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 109.533 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -11.86 60.8 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.322 -0.861 . . . . 0.0 109.678 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -80.72 0.62 33.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.175 -0.953 . . . . 0.0 109.649 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.98 -32.48 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.205 -0.935 . . . . 0.0 109.513 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -62.3 -27.84 69.32 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.419 -0.801 . . . . 0.0 109.486 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -23.75 59.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.363 -0.836 . . . . 0.0 109.243 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -60.43 -30.62 69.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.37 -0.831 . . . . 0.0 109.343 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 mt -67.16 -36.74 77.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.508 -0.745 . . . . 0.0 109.456 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.45 -28.59 69.39 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.525 -0.735 . . . . 0.0 109.588 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -98.25 91.08 5.07 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.321 -0.862 . . . . 0.0 109.604 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.379 0.609 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -66.33 -10.96 48.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.309 -0.869 . . . . 0.0 109.479 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -55.35 -24.95 31.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 109.502 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 37.4 t -50.55 -32.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.318 -0.864 . . . . 0.0 109.373 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -28.56 69.76 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.525 -0.734 . . . . 0.0 109.503 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -35.96 78.25 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 108.854 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -31.91 70.06 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 8' ' ' ILE . 39.6 mt -74.38 -33.34 33.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.55 -46.99 74.25 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.688 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -70.63 -23.27 62.51 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.405 -0.81 . . . . 0.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -75.59 -28.25 58.85 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.129 179.631 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -80.35 -49.49 11.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.492 -0.755 . . . . 0.0 109.163 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.31 -38.4 77.02 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.507 HG11 ' N ' ' A' ' 15' ' ' PHE . 10.3 p -72.39 -33.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.507 ' N ' HG11 ' A' ' 14' ' ' VAL . 2.3 t80 -66.72 -36.66 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.553 -0.717 . . . . 0.0 109.195 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.47 -23.7 62.95 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.405 -0.809 . . . . 0.0 109.381 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -70.03 -35.65 74.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.819 . . . . 0.0 109.5 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.532 HG21 ' N ' ' A' ' 19' ' ' GLU . 15.9 tt -72.77 -26.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.532 ' N ' HG21 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.34 -44.4 65.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.182 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -20.21 58.43 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.89 -7.75 45.3 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.108 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 86.09 160.22 33.6 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -80.05 13.64 2.13 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.875 2.383 . . . . 0.0 110.713 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HA ' HG21 ' A' ' 27' ' ' VAL . 25.0 tttt -53.79 -19.1 3.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.154 -0.966 . . . . 0.0 109.6 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.527 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 1.3 t-105 -68.34 -7.03 27.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -0.899 . . . . 0.0 109.454 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 1.25 4.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.569 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.447 HG21 ' HA ' ' A' ' 24' ' ' LYS . 54.6 t -79.01 -32.57 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.175 -0.953 . . . . 0.0 109.562 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 9.6 p90 -65.39 -27.86 68.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.82 . . . . 0.0 109.596 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -60.24 -27.17 66.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.358 -0.839 . . . . 0.0 109.519 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -31.48 67.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.5 -0.75 . . . . 0.0 109.213 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 mt -71.49 -36.86 62.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-O 121.569 0.699 . . . . 0.0 109.492 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.03 -28.76 68.49 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.567 -0.708 . . . . 0.0 109.674 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -94.49 -43.13 8.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.365 -0.835 . . . . 0.0 109.522 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.437 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -67.83 -22.71 65.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 4.7 ptmt -67.13 -25.1 66.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.0 109.418 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 5.3 t -64.14 -31.26 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.398 -0.813 . . . . 0.0 109.313 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.14 -28.72 69.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.501 -0.749 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -35.73 77.78 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.863 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.36 -32.05 70.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.21 -33.49 34.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.65 -43.64 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.546 0.688 . . . . 0.0 109.52 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.42 -24.27 46.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.479 -0.763 . . . . 0.0 109.573 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -74.99 -27.62 60.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 0.0 109.228 179.72 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -79.5 -49.81 11.7 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.384 -0.822 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' O ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.71 -39.08 76.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.433 -0.792 . . . . 0.0 109.037 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 11' ' ' LYS . 12.3 p -74.43 -32.61 31.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -62.39 -36.94 83.86 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.55 -0.719 . . . . 0.0 109.32 179.792 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -60.57 -33.49 72.79 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.564 -0.71 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -47.47 60.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.19 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 22' ' ' GLY . 5.6 tp -75.44 -26.45 18.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.619 -0.676 . . . . 0.0 109.459 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -54.54 -42.05 70.47 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.222 -0.924 . . . . 0.0 108.607 179.507 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -23.51 61.41 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.24 -7.58 31.93 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.454 -0.779 . . . . 0.0 109.144 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -121.5 158.18 16.27 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.22 -1.31 11.49 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.687 2.258 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HA ' HG22 ' A' ' 27' ' ' VAL . 3.1 tttt -66.77 -10.26 45.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.898 . . . . 0.0 109.609 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.429 ' CE3' ' O ' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -63.1 -25.22 68.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 0.0 109.361 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -104.97 -16.98 14.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.421 -0.8 . . . . 0.0 109.059 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 59.2 t -73.45 -32.55 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.413 -0.805 . . . . 0.0 109.353 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -61.38 -27.69 68.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.481 -0.762 . . . . 0.0 109.448 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -24.7 67.96 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.427 -0.796 . . . . 0.0 109.501 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -59.28 -30.45 68.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.318 -0.864 . . . . 0.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 28' ' ' PHE . 56.9 mt -66.44 -38.76 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.516 -0.74 . . . . 0.0 109.453 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -28.54 67.44 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.511 -0.743 . . . . 0.0 109.451 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.34 133.55 35.35 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.417 -0.802 . . . . 0.0 109.407 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.413 0.625 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -18.66 63.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.388 -0.82 . . . . 0.0 109.574 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -67.27 -24.74 65.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.2 -31.53 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.494 -0.754 . . . . 0.0 109.528 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -29.04 69.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.513 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -66.1 -33.71 76.39 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.257 -0.902 . . . . 0.0 108.718 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -70.15 -32.52 70.54 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -74.46 -32.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.36 -47.49 76.24 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.495 0.664 . . . . 0.0 109.612 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -75.59 -23.64 56.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.4 -0.812 . . . . 0.0 109.39 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -75.38 -27.87 59.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.392 -0.817 . . . . 0.0 109.115 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 12' ' ' TRP . 4.9 m95 -78.63 -50.03 12.19 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 109.413 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -30.05 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.564 -0.71 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.9 p -83.09 -33.04 9.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.2 t80 -62.8 -36.48 83.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.595 -0.69 . . . . 0.0 109.348 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.453 -0.779 . . . . 0.0 109.232 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -70.17 -45.23 67.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.547 -0.721 . . . . 0.0 109.219 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -75.21 -27.82 19.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.544 -0.723 . . . . 0.0 109.516 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -41.98 71.99 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -74.33 -21.73 59.57 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.24 -7.49 35.41 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -118.33 86.89 0.41 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 36.3 Cg_endo -79.17 44.63 1.73 Allowed 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.795 2.33 . . . . 0.0 110.535 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -70.61 -11.2 60.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.138 -0.976 . . . . 0.0 109.212 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -13.62 62.23 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.288 -0.882 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 23' ' ' PRO . 11.5 pttm -82.92 -15.54 50.96 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.18 -0.95 . . . . 0.0 109.173 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.8 t -76.89 -32.59 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.853 . . . . 0.0 109.154 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -71.54 -31.49 67.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.41 -0.807 . . . . 0.0 109.116 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -33.35 51.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.523 -0.735 . . . . 0.0 109.193 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -30.85 67.43 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.526 -0.733 . . . . 0.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.4 mm -71.01 -37.57 68.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.515 -0.741 . . . . 0.0 109.216 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.24 -28.77 66.63 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.57 -0.706 . . . . 0.0 109.4 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -76.59 -67.15 0.72 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.405 -0.81 . . . . 0.0 109.415 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.422 ' CG ' HG12 ' A' ' 4' ' ' VAL . 3.4 pttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -65.17 -10.93 35.21 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 109.322 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -62.29 -24.48 67.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.905 . . . . 0.0 109.137 179.81 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.422 HG12 ' CG ' ' A' ' 1' ' ' LYS . 33.3 m -47.52 -34.89 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.581 -0.699 . . . . 0.0 109.386 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -28.8 69.46 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.223 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -66.96 -33.67 76.08 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.194 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 21.6 mttt -70.19 -32.18 69.99 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 mm -74.02 -33.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.47 -44.77 81.83 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.568 0.699 . . . . 0.0 109.297 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.3 mmtt -79.69 -17.62 53.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -69.15 -28.75 66.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.412 -0.805 . . . . 0.0 109.417 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -57.19 4.09 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.491 -0.756 . . . . 0.0 109.427 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.97 -20.59 39.26 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 10' ' ' LYS . 40.4 t -84.88 -39.18 13.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.724 0.773 . . . . 0.0 108.982 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -36.76 80.91 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.25 -24.78 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.537 -0.727 . . . . 0.0 109.224 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.27 -37.35 74.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.363 -0.836 . . . . 0.0 109.367 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 22' ' ' GLY . 15.2 mt -64.19 -43.48 97.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.608 -0.682 . . . . 0.0 109.374 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.91 -39.68 40.74 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -71.82 -24.53 61.73 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -97.27 -7.74 31.44 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.144 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 92.94 144.85 15.45 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 35.8 Cg_endo -78.98 5.49 5.67 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.672 2.248 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -59.44 -14.14 11.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 109.879 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -14.1 11.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.592 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 23' ' ' PRO . 13.7 pttm -94.7 17.16 13.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.174 -0.954 . . . . 0.0 109.598 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.18 -32.6 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.596 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -73.79 -27.66 61.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.424 -0.798 . . . . 0.0 109.544 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -78.67 -23.71 45.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.449 -0.782 . . . . 0.0 109.725 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -30.7 69.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.369 -0.832 . . . . 0.0 109.965 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.476 HG21 ' O ' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -66.13 -35.7 75.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.272 -0.892 . . . . 0.0 109.486 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -58.35 -28.63 65.28 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.373 -0.829 . . . . 0.0 109.686 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -105.47 78.08 1.34 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.389 -0.819 . . . . 0.0 109.463 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.352 0.596 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -69.5 -11.23 60.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.341 -0.85 . . . . 0.0 109.503 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -60.32 -24.86 65.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.154 -0.966 . . . . 0.0 109.306 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.467 HG21 ' N ' ' A' ' 5' ' ' PHE . 11.4 m -55.28 -31.42 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.382 -0.824 . . . . 0.0 109.478 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.467 ' N ' HG21 ' A' ' 4' ' ' VAL . 40.2 m-85 -59.95 -28.47 67.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.521 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.1 tmtm? -56.95 -37.69 71.89 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.263 -0.898 . . . . 0.0 109.136 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.3 mttm -69.04 -31.61 70.52 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mm -74.84 -33.62 30.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.48 -52.46 64.42 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.4 0.619 . . . . 0.0 109.437 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -61.9 -25.28 67.47 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.518 -0.739 . . . . 0.0 109.075 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -75.61 -28.01 58.7 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.472 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -81.05 -51.85 8.04 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.585 -0.697 . . . . 0.0 109.235 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -29.7 66.09 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.602 -0.686 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG13 ' C ' ' A' ' 11' ' ' LYS . 8.9 p -82.69 -33.04 10.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 108.838 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE1' HD12 ' A' ' 18' ' ' ILE . 38.1 t80 -64.63 -36.67 84.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.603 0.716 . . . . 0.0 109.219 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -23.61 67.4 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.414 -0.804 . . . . 0.0 109.141 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -66.98 -39.62 87.21 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.488 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.0 pt -75.11 -26.64 19.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.436 -0.79 . . . . 0.0 109.347 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' N ' HG13 ' A' ' 18' ' ' ILE . 6.8 tp10 -53.51 -42.65 67.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -22.29 60.79 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . . . -97.0 -7.58 32.63 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.463 -0.773 . . . . 0.0 109.154 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 49.67 -177.63 0.03 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -78.18 4.9 5.82 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.666 2.244 . . . . 0.0 110.238 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 5.3 tptp -61.11 -13.22 15.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.308 -0.87 . . . . 0.0 109.516 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.555 ' CE3' ' O ' ' A' ' 25' ' ' TRP . 3.8 t90 -57.72 -18.21 19.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 0.0 109.521 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -66.65 -24.59 66.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.327 -0.858 . . . . 0.0 109.393 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.36 -32.16 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.333 -0.855 . . . . 0.0 109.417 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -27.67 63.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.505 -0.747 . . . . 0.0 109.724 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 26' ' ' LYS . 1.2 pttt -57.95 -29.21 65.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.333 -0.854 . . . . 0.0 109.56 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -60.55 -30.62 69.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 0.0 109.298 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.3 mt -64.7 -38.49 82.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.433 -0.792 . . . . 0.0 109.197 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.14 -28.66 66.65 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.602 -0.686 . . . . 0.0 109.428 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.47 119.31 27.62 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.467 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.439 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -64.17 -11.11 27.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.382 -0.824 . . . . 0.0 109.554 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -53.27 -24.49 11.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.193 -0.942 . . . . 0.0 109.448 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.506 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 54.0 t -50.09 -31.65 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.389 -0.819 . . . . 0.0 109.364 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.4 -28.59 65.34 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 109.364 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.83 -35.43 78.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.362 -0.836 . . . . 0.0 108.879 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -32.15 70.66 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -74.19 -33.74 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.02 -40.86 87.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.93 -27.66 66.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -71.86 -29.02 63.93 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -57.42 4.42 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.89 63.34 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 10' ' ' LYS . 39.4 t -74.56 -41.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 18' ' ' ILE . 1.2 t80 -65.03 -36.3 83.94 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.628 0.728 . . . . 0.0 109.076 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -23.4 67.36 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.61 -0.682 . . . . 0.0 109.502 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -70.14 -34.97 73.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 0.0 109.613 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.551 HD13 ' CE1' ' A' ' 15' ' ' PHE . 2.0 pt -75.49 -26.65 18.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.577 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.507 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.1 -44.74 64.55 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.177 -0.952 . . . . 0.0 108.655 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.3 ptmt -76.0 -19.19 58.89 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 18' ' ' ILE . . . -96.7 -6.08 37.27 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.443 -0.786 . . . . 0.0 108.996 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -132.82 65.52 0.59 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 22' ' ' GLY . 35.9 Cg_endo -78.29 6.73 4.52 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.683 2.255 . . . . 0.0 110.476 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -53.98 -19.44 4.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.162 -0.961 . . . . 0.0 109.409 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -92.28 -8.68 44.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.38 -0.825 . . . . 0.0 109.415 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 29' ' ' LYS . 2.3 tttp -108.47 0.28 20.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -57.64 -32.89 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.157 -0.964 . . . . 0.0 109.349 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.56 -27.63 58.68 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.469 -0.77 . . . . 0.0 109.21 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.11 -23.39 66.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.501 -0.75 . . . . 0.0 109.413 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -30.57 65.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.408 -0.807 . . . . 0.0 109.465 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -65.93 -40.39 87.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 121.442 -0.786 . . . . 0.0 109.259 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.26 -28.62 66.47 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.557 -0.714 . . . . 0.0 109.404 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -84.52 -90.86 0.09 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.392 -0.817 . . . . 0.0 109.469 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.8 t90 56.95 -84.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 0.0 109.424 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 1' ' ' LYS . 7.6 pttm -56.69 -24.51 49.6 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.573 -0.704 . . . . 0.0 109.331 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.464 ' HB ' ' N ' ' A' ' 1' ' ' LYS . 54.5 t -65.25 -31.76 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 109.506 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.16 -28.25 69.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.496 -0.753 . . . . 0.0 109.498 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 2.7 mmtp -56.71 -34.96 67.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 109.105 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -69.32 -32.58 71.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.476 HG22 HD13 ' A' ' 8' ' ' ILE . 8.7 mt -74.97 -33.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.02 -35.87 80.86 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.576 0.703 . . . . 0.0 109.158 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -74.07 -27.21 60.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.628 -0.67 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HA ' HG21 ' A' ' 14' ' ' VAL . 20.0 tttp -71.51 -28.67 64.06 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -0.83 . . . . 0.0 109.044 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -72.57 -54.84 8.03 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.435 -0.79 . . . . 0.0 109.369 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.16 -48.0 81.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.581 -0.7 . . . . 0.0 109.693 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 14.6 m -58.99 -33.31 49.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 109.088 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' N ' HG23 ' A' ' 14' ' ' VAL . 64.8 t80 -66.14 -36.65 83.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.458 -0.776 . . . . 0.0 109.237 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -67.98 -23.47 65.04 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.563 -0.711 . . . . 0.0 109.159 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -70.02 -39.16 75.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 22' ' ' GLY . 7.9 tt -75.65 -26.92 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.492 -0.755 . . . . 0.0 109.705 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 18' ' ' ILE . 2.0 tt0 -57.49 -40.95 79.75 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.224 -0.922 . . . . 0.0 108.698 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -23.85 61.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' HD3' ' A' ' 23' ' ' PRO . . . -97.51 -7.41 31.48 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 109.136 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -114.77 83.78 0.34 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 35.3 Cg_endo -77.89 -9.92 16.83 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.594 2.196 . . . . 0.0 110.333 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' O ' HG12 ' A' ' 27' ' ' VAL . 5.9 mttp -65.08 -10.62 31.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 109.386 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -11.89 54.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 0.0 109.397 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 -10.8 14.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.379 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 24' ' ' LYS . 9.0 p -61.59 -32.67 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.192 -0.942 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' O ' HG23 ' A' ' 31' ' ' ILE . 1.6 m-85 -59.54 -30.55 68.69 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.402 -0.812 . . . . 0.0 109.414 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -23.28 46.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.475 -0.765 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -57.68 -31.92 66.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.37 -0.831 . . . . 0.0 109.855 -179.417 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -71.29 -36.11 60.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.292 -0.88 . . . . 0.0 109.468 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -68.81 -28.64 66.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.455 -0.778 . . . . 0.0 109.548 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 63.31 3.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.355 -0.841 . . . . 0.0 109.399 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -62.92 -14.0 41.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.918 . . . . 0.0 109.292 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' HA ' ' HG3' ' A' ' 6' ' ' LYS . 22.4 ttpt -62.15 -25.03 67.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.307 -0.871 . . . . 0.0 109.214 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.409 ' O ' HG11 ' A' ' 4' ' ' VAL . 98.6 t -62.71 -31.85 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.35 -0.844 . . . . 0.0 109.3 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -63.76 -28.74 70.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.237 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HG3' ' HA ' ' A' ' 3' ' ' LYS . 6.6 mttp -62.77 -35.58 80.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -69.56 -31.88 70.34 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.3 mt -73.67 -33.57 38.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -44.56 81.76 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.613 0.72 . . . . 0.0 109.172 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' O ' HG22 ' A' ' 14' ' ' VAL . 1.2 mttt -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.494 -0.753 . . . . 0.0 109.093 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -76.38 -28.07 56.63 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -48.73 30.6 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.514 -0.741 . . . . 0.0 109.371 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.95 68.22 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.576 -0.703 . . . . 0.0 109.175 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 27.6 m -81.05 -33.04 12.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.427 ' N ' HG21 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.14 -36.61 84.6 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.529 -0.732 . . . . 0.0 109.196 179.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -67.78 -27.59 66.88 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 109.007 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.46 73.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 0.0 109.031 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' GLY . 28.9 mt -67.72 -37.98 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.557 -0.714 . . . . 0.0 109.376 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.01 -40.54 58.42 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -24.18 61.41 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.99 -7.59 32.65 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.474 -0.766 . . . . 0.0 108.956 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -116.26 101.2 0.97 Allowed Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.53 7.4 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.476 2.117 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -57.24 -16.89 9.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.967 . . . . 0.0 109.286 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -60.06 -26.77 66.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.312 -0.867 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -83.54 -17.28 42.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.343 -0.848 . . . . 0.0 109.06 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 5.9 t -79.23 -32.49 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.518 -0.738 . . . . 0.0 109.298 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 31' ' ' ILE . 11.1 m-85 -60.89 -27.48 68.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.48 -0.763 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -57.54 -23.36 50.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 109.39 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 14.1 pttt -57.77 -31.14 66.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 0.0 109.654 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 28' ' ' PHE . 1.9 tt -71.4 -36.64 61.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.43 -0.794 . . . . 0.0 109.672 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -28.77 67.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.392 -0.818 . . . . 0.0 109.374 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -103.18 -44.56 5.16 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.54 -0.725 . . . . 0.0 109.252 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.279 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -68.84 -6.61 27.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.167 -0.958 . . . . 0.0 109.61 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -24.77 67.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.225 -0.922 . . . . 0.0 108.974 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 16.8 m -59.1 -31.44 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.572 -0.705 . . . . 0.0 109.244 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -57.47 -27.81 62.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 0.0 109.355 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -37.64 71.12 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.191 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -68.86 -31.9 71.19 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 8' ' ' ILE . 9.0 mt -74.38 -33.45 33.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -66.69 -42.33 86.65 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.644 0.735 . . . . 0.0 109.077 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HG2' ' HA ' ' A' ' 7' ' ' LYS . 19.2 pttt -81.14 -23.05 38.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.577 -0.702 . . . . 0.0 109.434 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' O ' HG12 ' A' ' 14' ' ' VAL . 1.1 tmtm? -62.68 -28.71 70.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 109.059 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -50.78 6.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -58.37 -29.77 66.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 11' ' ' LYS . 7.1 p -81.81 -34.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.527 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 56.5 t80 -68.11 -36.38 79.66 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -23.41 65.81 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 2.8 tppt? -68.34 -40.12 81.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.513 -0.742 . . . . 0.0 109.168 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 15' ' ' PHE . 20.5 pt -75.4 -28.37 20.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.606 -0.684 . . . . 0.0 109.24 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.15 -40.39 81.24 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -74.05 -22.79 59.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.25 -7.35 35.76 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 103.21 157.53 25.05 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -78.28 -9.6 16.36 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.759 2.306 . . . . 0.0 110.368 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -17.24 9.53 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -0.94 . . . . 0.0 109.328 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -90.89 -5.77 55.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.322 -0.861 . . . . 0.0 109.455 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -13.22 11.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.0 109.245 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.79 -32.67 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.3 -34.64 70.79 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.502 -0.749 . . . . 0.0 109.416 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -78.26 -30.67 48.69 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.513 -0.742 . . . . 0.0 109.302 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -30.56 70.62 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.492 -0.755 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.1 mm -64.29 -36.95 78.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.526 -0.734 . . . . 0.0 109.401 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -69.09 -28.83 66.85 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.492 -0.755 . . . . 0.0 109.528 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -105.55 59.05 0.67 Allowed 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.424 -0.798 . . . . 0.0 109.519 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.797 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.438 0.637 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.3 -28.58 65.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.443 -0.786 . . . . 0.0 109.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -38.0 72.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 108.864 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -69.29 -31.58 70.16 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.06 -33.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -47.76 71.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.554 0.692 . . . . 0.0 109.353 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 17.1 mmtt -73.96 -17.91 60.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.646 -0.659 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.05 -28.52 60.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.379 -0.826 . . . . 0.0 109.295 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -84.53 -56.08 3.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.372 -0.83 . . . . 0.0 109.309 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -58.5 -24.61 60.9 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.61 -0.681 . . . . 0.0 109.424 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.2 p -86.28 -33.42 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.175 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.784 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -66.99 -36.49 82.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.505 -0.747 . . . . 0.0 109.321 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.59 67.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.395 -0.815 . . . . 0.0 109.327 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -69.08 -38.97 79.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.405 -0.81 . . . . 0.0 109.527 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 15' ' ' PHE . 15.6 tt -75.4 -28.06 19.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 O-C-N 121.487 -0.758 . . . . 0.0 109.414 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -50.3 -44.3 54.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -73.33 -20.97 60.67 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.503 -0.748 . . . . 0.0 109.18 179.701 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.459 0.647 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -28.75 66.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.463 -0.773 . . . . 0.0 109.495 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -60.11 -36.6 77.81 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.557 -0.857 . . . . 0.0 108.803 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 7.2 mt -74.08 -33.41 35.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.65 -46.85 74.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.532 0.682 . . . . 0.0 109.295 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.606 ' O ' HG12 ' A' ' 14' ' ' VAL . 1.3 mttm -80.31 -17.89 50.76 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.656 -0.653 . . . . 0.0 109.351 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.526 ' C ' HG12 ' A' ' 14' ' ' VAL . 3.3 mtpt -64.97 -28.51 69.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 109.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -57.3 3.19 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.342 -0.849 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -23.67 60.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.584 -0.698 . . . . 0.0 109.415 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 10' ' ' LYS . 9.8 p -86.11 -33.42 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.282 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.08 -36.61 82.36 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.0 109.424 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -62.96 -23.67 67.52 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.504 -0.747 . . . . 0.0 109.31 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -67.8 -35.59 78.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.43 -0.794 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' ALA . 18.7 mm -71.03 -37.83 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.479 -0.763 . . . . 0.0 109.509 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -40.82 40.28 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -70.89 -24.97 62.59 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.541 -0.725 . . . . 0.0 109.195 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.493 0.663 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -28.88 69.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.437 -0.789 . . . . 0.0 109.396 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -63.33 -34.53 77.9 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.68 -32.4 71.0 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.76 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -74.21 -33.58 35.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.64 -40.5 88.73 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.821 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.18 -18.59 38.82 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.527 -0.733 . . . . 0.0 109.307 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -65.7 -28.45 69.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -82.05 -54.28 5.42 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.38 -0.825 . . . . 0.0 109.543 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -58.16 -28.24 64.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.494 -0.754 . . . . 0.0 109.534 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 10' ' ' LYS . 22.4 m -83.9 -32.84 8.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.433 -0.792 . . . . 0.0 108.919 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 7.1 t80 -63.32 -36.8 84.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.467 -0.77 . . . . 0.0 109.313 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -23.93 64.25 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.566 -0.709 . . . . 0.0 109.123 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.457 -0.777 . . . . 0.0 109.242 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ALA . 30.6 mt -63.0 -38.57 82.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -49.86 -40.64 43.13 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -70.85 -25.09 62.67 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.441 -0.787 . . . . 0.0 109.145 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.364 0.602 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.96 -28.66 66.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.438 -0.789 . . . . 0.0 109.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -37.39 74.01 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.636 -0.826 . . . . 0.0 108.973 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -69.27 -31.81 70.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.25 -33.29 34.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.95 -44.97 79.21 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.494 0.664 . . . . 0.0 109.45 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.565 ' O ' HG12 ' A' ' 14' ' ' VAL . 12.5 tttp -76.39 -19.13 58.44 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' C ' HG12 ' A' ' 14' ' ' VAL . 2.0 ttmt -71.04 -28.83 64.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.331 -0.856 . . . . 0.0 109.133 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.48 -52.32 5.42 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.68 -25.99 63.39 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.16 -33.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.81 -36.85 81.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.195 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -23.57 67.41 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.535 -0.728 . . . . 0.0 109.14 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 18.0 mttt -66.44 -44.47 82.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.423 -0.798 . . . . 0.0 109.344 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 15' ' ' PHE . 16.3 pt -75.35 -26.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.496 -0.752 . . . . 0.0 109.446 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -41.24 72.94 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 108.584 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -71.42 -24.24 62.0 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.474 0 O-C-N 121.467 -0.771 . . . . 0.0 109.094 179.507 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.482 0.658 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.65 -28.47 69.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.472 -0.767 . . . . 0.0 109.583 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -56.85 -38.05 72.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 108.902 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -69.15 -31.65 70.46 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 mm -74.05 -33.23 35.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.602 0.715 . . . . 0.0 109.326 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 8.5 mtpt -65.85 -22.0 66.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.549 -0.719 . . . . 0.0 109.196 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -77.09 -28.01 54.39 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.402 -0.811 . . . . 0.0 109.108 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.513 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -83.98 -56.62 3.58 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -58.42 -24.84 61.23 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.589 -0.694 . . . . 0.0 109.391 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.29 -33.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.333 -0.855 . . . . 0.0 109.152 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.63 -36.63 81.29 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.511 -0.743 . . . . 0.0 109.47 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.62 -30.01 69.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.418 -0.801 . . . . 0.0 109.351 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -70.34 -36.28 74.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.43 -0.794 . . . . 0.0 109.351 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' ALA . 12.1 mt -75.36 -37.68 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.618 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -40.27 38.08 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.894 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -69.06 -27.04 65.27 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.459 -0.775 . . . . 0.0 109.0 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.466 -0.771 . . . . 0.0 109.262 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.401 0.619 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.69 -28.62 69.54 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.451 -0.78 . . . . 0.0 109.463 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -57.51 -37.36 72.86 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.028 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -69.18 -31.85 70.76 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 mt -74.4 -33.25 32.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.59 -42.94 86.2 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.59 0.709 . . . . 0.0 109.215 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -70.5 -21.91 62.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.551 -0.718 . . . . 0.0 109.311 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.78 -28.29 58.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.058 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -85.11 -55.24 4.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.474 -0.767 . . . . 0.0 109.142 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -58.68 -25.63 63.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -84.79 -33.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.05 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.597 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -65.67 -36.73 84.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.536 -0.727 . . . . 0.0 109.294 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -63.71 -23.57 67.42 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.219 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -69.84 -47.31 63.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 109.239 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.2 tt -71.96 -26.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.6 -0.687 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -44.12 54.49 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -72.61 -21.95 61.04 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.512 -0.743 . . . . 0.0 109.236 179.733 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.567 0.699 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -27.77 62.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.453 -0.779 . . . . 0.0 109.438 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -38.76 71.03 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 108.845 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -69.14 -31.47 70.17 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.6 mt -73.77 -32.98 36.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -53.27 41.65 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.497 0.665 . . . . 0.0 109.571 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -20.14 64.2 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.415 -0.803 . . . . 0.0 109.074 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -76.34 -27.97 56.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.624 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -57.06 3.96 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.478 -0.764 . . . . 0.0 109.469 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HA ' ' HZ2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.72 -34.02 70.87 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.54 -0.725 . . . . 0.0 109.853 -179.782 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 11' ' ' LYS . 9.8 p -74.07 -33.0 34.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.073 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 18' ' ' ILE . 1.1 m-85 -65.99 -36.67 83.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.458 -0.776 . . . . 0.0 109.395 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -64.25 -23.91 67.48 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.45 -0.781 . . . . 0.0 109.418 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 14' ' ' VAL . 4.1 mmtm -70.31 -45.93 65.28 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.518 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 15' ' ' PHE . 3.9 pt -75.37 -27.25 19.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.436 -0.79 . . . . 0.0 109.723 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -58.1 -40.42 81.12 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.289 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -24.07 61.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.489 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.546 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.404 0.621 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.23 -28.65 69.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.351 -0.843 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -61.02 -35.0 75.72 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.304 -0.873 . . . . 0.0 109.047 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.7 mm -74.77 -33.9 32.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.34 -37.71 83.72 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.533 0.682 . . . . 0.0 109.227 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.01 -19.68 34.09 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.625 -0.672 . . . . 0.0 109.443 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.566 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -67.06 -28.99 68.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 0.0 109.212 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -79.29 -47.37 15.99 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.511 -0.743 . . . . 0.0 109.196 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -28.69 64.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 11' ' ' LYS . 8.2 p -86.47 -32.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.815 ' O ' HG22 ' A' ' 18' ' ' ILE . 22.0 t80 -59.55 -36.4 76.1 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.54 0.686 . . . . 0.0 109.185 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -25.8 64.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.459 -0.775 . . . . 0.0 109.11 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -70.21 -35.87 74.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.431 -0.793 . . . . 0.0 109.575 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 15' ' ' PHE . 2.6 tt -73.56 -26.48 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.403 -0.81 . . . . 0.0 109.557 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -42.43 68.32 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.511 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -23.31 61.51 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.514 -0.741 . . . . 0.0 109.194 179.681 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.512 0.672 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -59.66 -28.49 67.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 109.566 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -63.93 -32.95 74.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.165 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 4.6 tttt -70.03 -32.78 71.09 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.79 -33.46 30.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.51 84.52 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.597 0.713 . . . . 0.0 109.322 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -18.04 43.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.461 -0.775 . . . . 0.0 109.619 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.51 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -71.78 -28.75 63.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.196 -0.94 . . . . 0.0 109.235 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -71.94 -48.17 47.16 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.414 -0.804 . . . . 0.0 109.134 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.77 -38.73 75.94 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.55 -0.718 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 11' ' ' LYS . 5.1 p -73.06 -33.6 43.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 1.026 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.0 m-30 -68.07 -36.38 79.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.534 -0.729 . . . . 0.0 109.277 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -23.5 65.67 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -35.5 79.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.423 -0.798 . . . . 0.0 109.573 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 1.026 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.4 tt -73.98 -26.83 21.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.842 . . . . 0.0 109.598 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -50.89 -45.19 60.08 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -19.45 59.84 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.505 0 O-C-N 121.426 -0.796 . . . . 0.0 109.071 179.631 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.379 0.609 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.03 -28.59 69.9 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.426 -0.796 . . . . 0.0 109.437 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -36.68 73.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.012 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -32.04 70.97 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 mt -74.44 -33.8 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.87 -41.4 87.34 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.612 0.72 . . . . 0.0 109.391 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -73.32 -20.62 60.75 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.6 -0.687 . . . . 0.0 109.351 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.489 ' C ' HG12 ' A' ' 14' ' ' VAL . 5.9 tttt -76.61 -28.34 56.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.415 -0.803 . . . . 0.0 109.149 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -54.71 4.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.447 -0.783 . . . . 0.0 109.164 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -58.52 -33.45 69.87 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.574 -0.704 . . . . 0.0 109.218 179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -75.9 -33.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.432 -0.792 . . . . 0.0 109.188 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -60.88 -36.97 80.59 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.558 -0.714 . . . . 0.0 109.401 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -70.65 -30.43 67.05 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -71.0 -45.15 64.49 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.465 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 tt -75.61 -27.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.481 -0.762 . . . . 0.0 109.704 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -51.37 -44.39 62.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 108.567 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.7 -20.99 60.38 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.659 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . . . . . . 0 C--N 1.301 -1.504 0 O-C-N 121.417 -0.802 . . . . 0.0 109.259 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.445 0.64 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -29.97 70.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.0 109.603 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 10.3 mttm -69.9 -31.66 69.57 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 mt -73.89 -33.25 36.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.3 -49.44 67.07 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.632 0.73 . . . . 0.0 109.106 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.42 -19.69 61.54 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.558 -0.714 . . . . 0.0 109.303 179.818 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 16.7 tttt -66.78 -31.6 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.133 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.55 -50.48 44.46 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.427 -0.795 . . . . 0.0 109.057 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.79 -23.18 51.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.06 -39.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 33.1 t80 -63.43 -36.3 83.28 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.583 0.706 . . . . 0.0 109.302 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.49 -25.06 68.08 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.442 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -70.44 -44.47 67.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.351 -0.843 . . . . 0.0 109.697 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 15' ' ' PHE . 19.9 pt -66.62 -26.45 37.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.397 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.01 -42.37 69.01 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.184 -0.948 . . . . 0.0 108.487 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -23.35 61.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.51 -0.744 . . . . 0.0 109.19 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.512 0.673 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -28.56 69.76 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.525 -0.734 . . . . 0.0 109.503 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -35.96 78.25 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 108.854 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -31.91 70.06 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.6 mt -74.38 -33.34 33.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.55 -46.99 74.25 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.688 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.63 -23.27 62.51 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.405 -0.81 . . . . 0.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -75.59 -28.25 58.85 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.129 179.631 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -80.35 -49.49 11.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.492 -0.755 . . . . 0.0 109.163 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.31 -38.4 77.02 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.485 HG12 ' C ' ' A' ' 11' ' ' LYS . 10.3 p -72.39 -33.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.931 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.3 t80 -66.72 -36.66 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.553 -0.717 . . . . 0.0 109.195 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.47 -23.7 62.95 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.405 -0.809 . . . . 0.0 109.381 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -70.03 -35.65 74.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.819 . . . . 0.0 109.5 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.931 HG22 ' O ' ' A' ' 15' ' ' PHE . 15.9 tt -72.77 -26.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -44.4 65.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -20.21 58.43 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.303 -1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.108 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.14 -28.72 69.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.501 -0.749 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -35.73 77.78 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.863 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.36 -32.05 70.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.21 -33.49 34.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.65 -43.64 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.546 0.688 . . . . 0.0 109.52 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -78.42 -24.27 46.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.479 -0.763 . . . . 0.0 109.573 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -74.99 -27.62 60.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 0.0 109.228 179.72 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -79.5 -49.81 11.7 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.384 -0.822 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HE2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.71 -39.08 76.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.433 -0.792 . . . . 0.0 109.037 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 10' ' ' LYS . 12.3 p -74.43 -32.61 31.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' HA ' HG22 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -62.39 -36.94 83.86 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.55 -0.719 . . . . 0.0 109.32 179.792 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -60.57 -33.49 72.79 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.564 -0.71 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -47.47 60.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.19 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 15' ' ' PHE . 5.6 tp -75.44 -26.45 18.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.619 -0.676 . . . . 0.0 109.459 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -54.54 -42.05 70.47 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.222 -0.924 . . . . 0.0 108.607 179.507 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -23.51 61.41 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.5 0 O-C-N 121.454 -0.779 . . . . 0.0 109.144 179.535 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.347 0.594 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -29.04 69.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.513 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -66.1 -33.71 76.39 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.257 -0.902 . . . . 0.0 108.718 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -70.15 -32.52 70.54 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -74.46 -32.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.36 -47.49 76.24 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.495 0.664 . . . . 0.0 109.612 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -75.59 -23.64 56.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.4 -0.812 . . . . 0.0 109.39 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.38 -27.87 59.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.392 -0.817 . . . . 0.0 109.115 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.435 ' CE3' ' HA ' ' A' ' 12' ' ' TRP . 4.9 m95 -78.63 -50.03 12.19 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 109.413 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -30.05 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.564 -0.71 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG12 ' C ' ' A' ' 11' ' ' LYS . 10.9 p -83.09 -33.04 9.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 18' ' ' ILE . 1.2 t80 -62.8 -36.48 83.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.595 -0.69 . . . . 0.0 109.348 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.453 -0.779 . . . . 0.0 109.232 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.506 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -70.17 -45.23 67.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.547 -0.721 . . . . 0.0 109.219 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -75.21 -27.82 19.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.544 -0.723 . . . . 0.0 109.516 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -41.98 71.99 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -74.33 -21.73 59.57 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.522 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.431 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 5' ' ' PHE . 33.3 m . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.418 0.628 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.405 ' N ' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -65.49 -28.8 69.46 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.223 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -33.67 76.08 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 21.6 mttt -70.19 -32.18 69.99 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 mm -74.02 -33.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.47 -44.77 81.83 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.568 0.699 . . . . 0.0 109.297 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.3 mmtt -79.69 -17.62 53.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -69.15 -28.75 66.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.412 -0.805 . . . . 0.0 109.417 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -57.19 4.09 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.491 -0.756 . . . . 0.0 109.427 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -20.59 39.26 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 10' ' ' LYS . 40.4 t -84.88 -39.18 13.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.724 0.773 . . . . 0.0 108.982 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -36.76 80.91 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.25 -24.78 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.537 -0.727 . . . . 0.0 109.224 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.27 -37.35 74.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.363 -0.836 . . . . 0.0 109.367 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 21' ' ' ALA . 15.2 mt -64.19 -43.48 97.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.608 -0.682 . . . . 0.0 109.374 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.91 -39.68 40.74 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -71.82 -24.53 61.73 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.144 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.483 0.658 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -59.95 -28.47 67.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.521 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -56.95 -37.69 71.89 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.263 -0.898 . . . . 0.0 109.136 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.3 mttm -69.04 -31.61 70.52 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mm -74.84 -33.62 30.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.48 -52.46 64.42 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.4 0.619 . . . . 0.0 109.437 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -61.9 -25.28 67.47 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.518 -0.739 . . . . 0.0 109.075 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.61 -28.01 58.7 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.472 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -81.05 -51.85 8.04 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.585 -0.697 . . . . 0.0 109.235 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -29.7 66.09 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.602 -0.686 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 11' ' ' LYS . 8.9 p -82.69 -33.04 10.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 108.838 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.683 ' CE1' HD11 ' A' ' 18' ' ' ILE . 38.1 t80 -64.63 -36.67 84.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.603 0.716 . . . . 0.0 109.219 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -23.61 67.4 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.414 -0.804 . . . . 0.0 109.141 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -66.98 -39.62 87.21 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.488 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.683 HD11 ' CE1' ' A' ' 15' ' ' PHE . 2.0 pt -75.11 -26.64 19.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.436 -0.79 . . . . 0.0 109.347 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' N ' HG13 ' A' ' 18' ' ' ILE . 6.8 tp10 -53.51 -42.65 67.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -22.29 60.79 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 O-C-N 121.463 -0.773 . . . . 0.0 109.154 179.616 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.448 0.642 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.4 -28.59 65.34 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 109.364 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.83 -35.43 78.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.362 -0.836 . . . . 0.0 108.879 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -32.15 70.66 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -74.19 -33.74 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.02 -40.86 87.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.93 -27.66 66.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -71.86 -29.02 63.93 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -57.42 4.42 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.89 63.34 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 10' ' ' LYS . 39.4 t -74.56 -41.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.494 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 1.2 t80 -65.03 -36.3 83.94 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.628 0.728 . . . . 0.0 109.076 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -23.4 67.36 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.61 -0.682 . . . . 0.0 109.502 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -70.14 -34.97 73.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 0.0 109.613 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.514 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.0 pt -75.49 -26.65 18.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.577 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.51 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.1 -44.74 64.55 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.177 -0.952 . . . . 0.0 108.655 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.3 ptmt -76.0 -19.19 58.89 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.468 0 O-C-N 121.443 -0.786 . . . . 0.0 108.996 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.47 0.652 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.16 -28.25 69.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.496 -0.753 . . . . 0.0 109.498 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -56.71 -34.96 67.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 109.105 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -69.32 -32.58 71.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -74.97 -33.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.02 -35.87 80.86 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.576 0.703 . . . . 0.0 109.158 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.887 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -74.07 -27.21 60.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.628 -0.67 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' C ' HG22 ' A' ' 14' ' ' VAL . 20.0 tttp -71.51 -28.67 64.06 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -0.83 . . . . 0.0 109.044 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -72.57 -54.84 8.03 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.435 -0.79 . . . . 0.0 109.369 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.452 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.16 -48.0 81.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.581 -0.7 . . . . 0.0 109.693 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 10' ' ' LYS . 14.6 m -58.99 -33.31 49.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 109.088 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.739 ' O ' HG22 ' A' ' 18' ' ' ILE . 64.8 t80 -66.14 -36.65 83.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.458 -0.776 . . . . 0.0 109.237 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -67.98 -23.47 65.04 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.563 -0.711 . . . . 0.0 109.159 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -70.02 -39.16 75.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 15' ' ' PHE . 7.9 tt -75.65 -26.92 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.492 -0.755 . . . . 0.0 109.705 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.49 -40.95 79.75 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.224 -0.922 . . . . 0.0 108.698 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -23.85 61.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 109.136 179.516 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.442 0.639 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -63.76 -28.74 70.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.237 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -62.77 -35.58 80.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 7' ' ' LYS . 7.1 mmtm -69.56 -31.88 70.34 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 8' ' ' ILE . 21.3 mt -73.67 -33.57 38.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -44.56 81.76 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.613 0.72 . . . . 0.0 109.172 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.494 -0.753 . . . . 0.0 109.093 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -76.38 -28.07 56.63 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -48.73 30.6 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.514 -0.741 . . . . 0.0 109.371 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.95 68.22 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.576 -0.703 . . . . 0.0 109.175 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 27.6 m -81.05 -33.04 12.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -36.61 84.6 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.529 -0.732 . . . . 0.0 109.196 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -67.78 -27.59 66.88 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 109.007 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.46 73.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 0.0 109.031 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 18' ' ' ILE . 28.9 mt -67.72 -37.98 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.557 -0.714 . . . . 0.0 109.376 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.01 -40.54 58.42 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -24.18 61.41 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.485 0 O-C-N 121.474 -0.766 . . . . 0.0 108.956 179.369 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 16.8 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.509 0.671 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -57.47 -27.81 62.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 0.0 109.355 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -37.64 71.12 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.191 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -68.86 -31.9 71.19 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 mt -74.38 -33.45 33.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -66.69 -42.33 86.65 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.644 0.735 . . . . 0.0 109.077 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 14' ' ' VAL . 19.2 pttt -81.14 -23.05 38.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.577 -0.702 . . . . 0.0 109.434 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' C ' HG12 ' A' ' 14' ' ' VAL . 1.1 tmtm? -62.68 -28.71 70.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 109.059 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -50.78 6.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -58.37 -29.77 66.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 10' ' ' LYS . 7.1 p -81.81 -34.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.527 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 56.5 t80 -68.11 -36.38 79.66 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -23.41 65.81 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 2.8 tppt? -68.34 -40.12 81.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.513 -0.742 . . . . 0.0 109.168 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 15' ' ' PHE . 20.5 pt -75.4 -28.37 20.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.606 -0.684 . . . . 0.0 109.24 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.15 -40.39 81.24 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -74.05 -22.79 59.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.361 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.579 ' O ' HG22 ' A' ' 4' ' ' VAL . 2.3 mptt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 47.0 t-105 -66.63 -12.6 58.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.404 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.67 -24.69 66.31 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.409 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 1' ' ' LYS . 10.0 m -64.0 -31.51 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.435 -0.79 . . . . 0.0 109.483 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.3 -28.58 65.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.443 -0.786 . . . . 0.0 109.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -38.0 72.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 108.864 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -69.29 -31.58 70.16 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.06 -33.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -47.76 71.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.554 0.692 . . . . 0.0 109.353 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 17.1 mmtt -73.96 -17.91 60.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.646 -0.659 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.05 -28.52 60.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.379 -0.826 . . . . 0.0 109.295 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -84.53 -56.08 3.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.372 -0.83 . . . . 0.0 109.309 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -58.5 -24.61 60.9 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.61 -0.681 . . . . 0.0 109.424 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.2 p -86.28 -33.42 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.175 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.784 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -66.99 -36.49 82.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.505 -0.747 . . . . 0.0 109.321 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.59 67.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.395 -0.815 . . . . 0.0 109.327 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -69.08 -38.97 79.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.405 -0.81 . . . . 0.0 109.527 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 15' ' ' PHE . 15.6 tt -75.4 -28.06 19.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 O-C-N 121.487 -0.758 . . . . 0.0 109.414 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 23' ' ' PRO . 44.8 tt0 -50.3 -44.3 54.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -73.33 -20.97 60.67 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.18 -7.55 32.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.503 -0.748 . . . . 0.0 109.18 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 154.41 89.27 0.07 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.683 ' O ' HG13 ' A' ' 27' ' ' VAL . 36.2 Cg_endo -79.46 45.21 1.88 Allowed 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.726 2.284 . . . . 0.0 110.461 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -68.93 -9.81 53.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.112 -0.992 . . . . 0.0 109.447 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -87.34 -4.8 59.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.0 109.634 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -122.0 -11.87 8.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 109.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 23' ' ' PRO . 22.3 m -67.2 -32.66 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 109.4 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -68.0 -27.41 66.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.494 -0.754 . . . . 0.0 109.435 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -78.13 -23.5 47.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.377 -0.827 . . . . 0.0 109.655 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -30.6 65.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 109.717 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.579 HD12 ' N ' ' A' ' 32' ' ' GLU . 2.4 pp -67.58 -36.12 75.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.382 -0.824 . . . . 0.0 109.556 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 31' ' ' ILE . 2.2 tt0 -65.94 -28.78 69.17 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.399 -0.813 . . . . 0.0 109.553 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -89.22 83.91 6.5 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.403 -0.811 . . . . 0.0 109.477 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.856 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.1 mttp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.337 0.589 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -69.7 -14.86 63.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.298 -0.876 . . . . 0.0 109.485 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 6.6 tttp -67.05 -24.86 66.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -58.0 -31.56 41.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.446 -0.784 . . . . 0.0 109.519 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -28.75 66.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.463 -0.773 . . . . 0.0 109.495 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.5 mtmt -60.11 -36.6 77.81 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.557 -0.857 . . . . 0.0 108.803 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 7.2 mt -74.08 -33.41 35.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.65 -46.85 74.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.532 0.682 . . . . 0.0 109.295 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.606 ' O ' HG12 ' A' ' 14' ' ' VAL . 1.3 mttm -80.31 -17.89 50.76 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.656 -0.653 . . . . 0.0 109.351 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.526 ' C ' HG12 ' A' ' 14' ' ' VAL . 3.3 mtpt -64.97 -28.51 69.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 109.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -57.3 3.19 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.342 -0.849 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -23.67 60.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.584 -0.698 . . . . 0.0 109.415 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 10' ' ' LYS . 9.8 p -86.11 -33.42 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.282 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.08 -36.61 82.36 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.0 109.424 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -62.96 -23.67 67.52 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.504 -0.747 . . . . 0.0 109.31 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -67.8 -35.59 78.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.43 -0.794 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 22' ' ' GLY . 18.7 mm -71.03 -37.83 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.479 -0.763 . . . . 0.0 109.509 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -40.82 40.28 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -70.89 -24.97 62.59 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -97.5 -7.88 30.47 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.541 -0.725 . . . . 0.0 109.195 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 85.88 159.4 32.15 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.88 2.09 8.24 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.667 2.244 . . . . 0.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.7 ' O ' HG12 ' A' ' 27' ' ' VAL . 6.0 ttmt -63.72 -12.15 32.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.208 -0.932 . . . . 0.0 109.454 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -85.23 -12.63 52.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.884 . . . . 0.0 109.45 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.78 -18.37 40.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.216 -0.927 . . . . 0.0 109.412 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.7 HG12 ' O ' ' A' ' 24' ' ' LYS . 8.0 p -79.14 -32.59 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 0.0 109.425 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.723 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -63.06 -27.57 69.49 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.536 -0.728 . . . . 0.0 109.493 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -77.99 -23.67 48.28 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.367 -0.833 . . . . 0.0 109.461 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -30.71 66.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.368 -0.833 . . . . 0.0 109.456 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.723 HG22 ' O ' ' A' ' 28' ' ' PHE . 1.1 tt -66.09 -36.44 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.395 -0.816 . . . . 0.0 109.456 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 31' ' ' ILE . 5.1 tt0 -63.16 -28.68 70.22 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.432 -0.793 . . . . 0.0 109.481 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -79.1 65.13 4.19 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.371 -0.83 . . . . 0.0 109.503 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.29 0.567 . . . . 0.0 109.519 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -69.86 -9.88 56.45 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.305 -0.872 . . . . 0.0 109.399 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -62.9 -24.55 67.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.282 -0.886 . . . . 0.0 109.519 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 85.5 t -54.74 -33.28 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.287 -0.883 . . . . 0.0 109.381 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -28.88 69.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.437 -0.789 . . . . 0.0 109.396 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.4 mttt -63.33 -34.53 77.9 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.68 -32.4 71.0 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.76 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -74.21 -33.58 35.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.64 -40.5 88.73 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.821 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.18 -18.59 38.82 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.527 -0.733 . . . . 0.0 109.307 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -65.7 -28.45 69.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -82.05 -54.28 5.42 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.38 -0.825 . . . . 0.0 109.543 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -58.16 -28.24 64.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.494 -0.754 . . . . 0.0 109.534 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 10' ' ' LYS . 22.4 m -83.9 -32.84 8.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.433 -0.792 . . . . 0.0 108.919 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 7.1 t80 -63.32 -36.8 84.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.467 -0.77 . . . . 0.0 109.313 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -23.93 64.25 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.566 -0.709 . . . . 0.0 109.123 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.457 -0.777 . . . . 0.0 109.242 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' GLY . 30.6 mt -63.0 -38.57 82.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -49.86 -40.64 43.13 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -70.85 -25.09 62.67 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -97.64 -7.87 30.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.441 -0.787 . . . . 0.0 109.145 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -53.92 172.87 0.66 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.56 -7.96 16.95 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.543 2.162 . . . . 0.0 110.044 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.449 ' O ' HG12 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -65.65 -10.29 34.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.356 -0.84 . . . . 0.0 109.398 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -89.86 -13.7 35.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.416 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.17 -10.24 14.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.316 -0.865 . . . . 0.0 109.383 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 24' ' ' LYS . 15.0 p -66.59 -32.86 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.325 -0.86 . . . . 0.0 109.412 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -76.1 -29.77 58.01 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.363 -0.836 . . . . 0.0 109.377 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -78.47 -23.96 46.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.377 -0.827 . . . . 0.0 109.406 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -30.62 67.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.437 -0.79 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.7 mt -68.76 -37.95 78.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.475 -0.766 . . . . 0.0 109.435 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -28.66 69.19 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.505 -0.747 . . . . 0.0 109.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.32 177.02 8.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.387 -0.82 . . . . 0.0 109.509 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.923 -1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.76 ' O ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.273 0.559 . . . . 0.0 109.545 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -55.42 -18.39 6.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.296 -0.878 . . . . 0.0 109.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -54.88 -51.0 67.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.882 . . . . 0.0 109.393 179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 1' ' ' LYS . 13.6 p -49.21 -31.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.633 -0.667 . . . . 0.0 109.483 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.96 -28.66 66.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.438 -0.789 . . . . 0.0 109.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -57.93 -37.39 74.01 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.636 -0.826 . . . . 0.0 108.973 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -69.27 -31.81 70.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.25 -33.29 34.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.95 -44.97 79.21 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.494 0.664 . . . . 0.0 109.45 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.565 ' O ' HG12 ' A' ' 14' ' ' VAL . 12.5 tttp -76.39 -19.13 58.44 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' C ' HG12 ' A' ' 14' ' ' VAL . 2.0 ttmt -71.04 -28.83 64.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.331 -0.856 . . . . 0.0 109.133 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.48 -52.32 5.42 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.68 -25.99 63.39 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.16 -33.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.81 -36.85 81.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.195 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -23.57 67.41 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.535 -0.728 . . . . 0.0 109.14 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 18.0 mttt -66.44 -44.47 82.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.423 -0.798 . . . . 0.0 109.344 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.616 HD12 ' HG3' ' A' ' 23' ' ' PRO . 16.3 pt -75.35 -26.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.496 -0.752 . . . . 0.0 109.446 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -41.24 72.94 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 108.584 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -71.42 -24.24 62.0 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 22' ' ' GLY . . . -97.32 -7.99 30.74 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.467 -0.771 . . . . 0.0 109.094 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 45.83 94.53 0.01 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HG3' HD12 ' A' ' 18' ' ' ILE . 35.5 Cg_endo -77.63 -6.36 16.11 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.501 2.134 . . . . 0.0 110.383 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -11.88 35.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 0.0 109.414 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -13.93 59.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.47 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.9 -13.72 11.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 109.373 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.6 -32.58 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.307 -0.87 . . . . 0.0 109.389 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.3 -27.56 68.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.513 -0.742 . . . . 0.0 109.519 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -77.6 -26.49 50.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.0 109.4 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -61.11 -30.64 70.48 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.4 -0.812 . . . . 0.0 109.236 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 mt -65.72 -36.76 78.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.467 -0.771 . . . . 0.0 109.399 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.75 -28.82 67.14 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.469 -0.769 . . . . 0.0 109.433 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 41.12 3.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.808 . . . . 0.0 109.488 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.554 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -70.08 -13.26 62.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 109.481 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -24.88 65.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.23 -0.919 . . . . 0.0 109.392 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' A' ' 1' ' ' LYS . 45.7 t -59.46 -31.57 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.333 -0.854 . . . . 0.0 109.408 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.65 -28.47 69.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.472 -0.767 . . . . 0.0 109.583 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -56.85 -38.05 72.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 108.902 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -69.15 -31.65 70.46 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 mm -74.05 -33.23 35.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.602 0.715 . . . . 0.0 109.326 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 8.5 mtpt -65.85 -22.0 66.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.549 -0.719 . . . . 0.0 109.196 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -77.09 -28.01 54.39 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.402 -0.811 . . . . 0.0 109.108 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -83.98 -56.62 3.58 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -58.42 -24.84 61.23 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.589 -0.694 . . . . 0.0 109.391 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.29 -33.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.333 -0.855 . . . . 0.0 109.152 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.63 -36.63 81.29 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.511 -0.743 . . . . 0.0 109.47 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.62 -30.01 69.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.418 -0.801 . . . . 0.0 109.351 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -70.34 -36.28 74.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.43 -0.794 . . . . 0.0 109.351 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' GLY . 12.1 mt -75.36 -37.68 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.618 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -40.27 38.08 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.894 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -69.06 -27.04 65.27 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.459 -0.775 . . . . 0.0 109.0 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' O ' ' HD3' ' A' ' 23' ' ' PRO . . . -97.91 -8.0 29.04 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.466 -0.771 . . . . 0.0 109.262 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -73.04 114.2 4.66 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 36.4 Cg_endo -79.38 46.35 2.19 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.419 2.079 . . . . 0.0 110.251 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HA ' HG12 ' A' ' 27' ' ' VAL . 2.5 ttmm -65.8 -9.96 33.27 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.238 -0.914 . . . . 0.0 109.492 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -12.84 50.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.267 -0.895 . . . . 0.0 109.386 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -120.69 -13.83 8.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.925 . . . . 0.0 109.427 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 24' ' ' LYS . 9.3 p -74.01 -32.48 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 0.0 109.506 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -61.44 -27.83 68.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.521 -0.737 . . . . 0.0 109.635 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -78.42 -23.33 46.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.349 -0.844 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HG3' ' HA ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -57.7 -30.46 65.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 109.765 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 HD12 ' N ' ' A' ' 32' ' ' GLU . 2.5 pp -68.46 -36.02 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.407 -0.808 . . . . 0.0 109.701 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' N ' HD12 ' A' ' 31' ' ' ILE . 6.3 tt0 -63.4 -28.5 70.03 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.317 -0.865 . . . . 0.0 109.442 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -70.82 76.72 0.62 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.491 -0.755 . . . . 0.0 109.495 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.828 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.539 ' O ' HG22 ' A' ' 4' ' ' VAL . 1.6 mmpt? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.02 -10.9 60.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.442 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -24.83 66.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.154 -0.966 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 1' ' ' LYS . 26.0 m -55.29 -31.67 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.404 -0.81 . . . . 0.0 109.396 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.69 -28.62 69.54 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.451 -0.78 . . . . 0.0 109.463 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -57.51 -37.36 72.86 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.028 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -69.18 -31.85 70.76 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 mt -74.4 -33.25 32.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.59 -42.94 86.2 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.59 0.709 . . . . 0.0 109.215 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -70.5 -21.91 62.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.551 -0.718 . . . . 0.0 109.311 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.78 -28.29 58.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.058 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -85.11 -55.24 4.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.474 -0.767 . . . . 0.0 109.142 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -58.68 -25.63 63.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -84.79 -33.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.05 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.597 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -65.67 -36.73 84.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.536 -0.727 . . . . 0.0 109.294 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -63.71 -23.57 67.42 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.219 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -69.84 -47.31 63.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 109.239 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.2 tt -71.96 -26.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.6 -0.687 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.517 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -50.36 -44.12 54.49 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.522 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -72.61 -21.95 61.04 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.19 -7.53 32.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.512 -0.743 . . . . 0.0 109.236 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 178.76 69.49 0.06 OUTLIER Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.54 ' O ' HG13 ' A' ' 27' ' ' VAL . 35.6 Cg_endo -78.15 -14.11 15.17 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.628 2.219 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.545 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -65.3 -9.93 28.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.296 -0.878 . . . . 0.0 109.438 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -86.35 -9.19 56.86 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.179 -0.95 . . . . 0.0 109.491 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -120.38 -2.04 10.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 0.0 109.557 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 24' ' ' LYS . 27.4 m -68.67 -32.82 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.122 -0.986 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' O ' HG12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -70.79 -27.67 64.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.453 -0.78 . . . . 0.0 109.546 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -75.48 -23.07 56.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.369 -0.832 . . . . 0.0 109.524 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -30.54 64.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.354 -0.841 . . . . 0.0 109.442 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 4.8 pt -65.91 -41.83 90.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 108.835 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -69.71 -51.14 37.05 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER 40.11 30.43 0.07 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.879 -0.513 . . . . 0.0 109.835 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.883 ' O ' HG12 ' A' ' 4' ' ' VAL . 2.4 mmtt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.415 0.626 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -69.73 -12.65 61.8 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.357 -0.84 . . . . 0.0 109.453 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -66.18 -27.66 68.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 0.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 1' ' ' LYS . 7.2 p -59.9 -31.25 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.443 -0.786 . . . . 0.0 109.427 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -27.77 62.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.453 -0.779 . . . . 0.0 109.438 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -38.76 71.03 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 108.845 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -69.14 -31.47 70.17 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.6 mt -73.77 -32.98 36.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -53.27 41.65 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.497 0.665 . . . . 0.0 109.571 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -20.14 64.2 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.415 -0.803 . . . . 0.0 109.074 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -76.34 -27.97 56.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.624 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -57.06 3.96 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.478 -0.764 . . . . 0.0 109.469 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HA ' ' HZ2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.72 -34.02 70.87 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.54 -0.725 . . . . 0.0 109.853 -179.782 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 11' ' ' LYS . 9.8 p -74.07 -33.0 34.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.073 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 18' ' ' ILE . 1.1 m-85 -65.99 -36.67 83.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.458 -0.776 . . . . 0.0 109.395 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -64.25 -23.91 67.48 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.45 -0.781 . . . . 0.0 109.418 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 14' ' ' VAL . 4.1 mmtm -70.31 -45.93 65.28 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.518 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' GLY . 3.9 pt -75.37 -27.25 19.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.436 -0.79 . . . . 0.0 109.723 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -58.1 -40.42 81.12 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.289 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -24.07 61.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.2 -7.61 31.96 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 50.36 -166.51 0.49 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.435 ' HB2' ' CE ' ' A' ' 26' ' ' LYS . 35.4 Cg_endo -77.97 3.77 6.72 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.643 2.229 . . . . 0.0 109.939 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.651 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -57.56 -16.28 9.66 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.391 -0.818 . . . . 0.0 109.54 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -80.83 6.08 14.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.265 -0.897 . . . . 0.0 109.549 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' CE ' ' HB2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -87.57 -20.53 26.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 109.515 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 24' ' ' LYS . 3.9 m -79.05 -32.49 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.287 -0.883 . . . . 0.0 109.267 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -27.54 68.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.536 -0.728 . . . . 0.0 109.538 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -69.41 -24.05 63.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.386 -0.821 . . . . 0.0 109.607 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -58.4 -31.11 67.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.313 -0.867 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.3 mt -71.33 -37.19 64.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.414 -0.804 . . . . 0.0 109.258 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.52 -28.67 70.01 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.554 -0.716 . . . . 0.0 109.329 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -104.96 -71.89 0.73 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.459 -0.776 . . . . 0.0 109.357 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.878 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.624 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.296 0.57 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 11.4 t-105 -67.43 -11.41 57.73 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.369 -0.832 . . . . 0.0 109.393 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -55.99 -24.65 40.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.364 -0.835 . . . . 0.0 109.471 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 1' ' ' LYS . 9.2 m -55.28 -31.66 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.418 -0.802 . . . . 0.0 109.51 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.23 -28.65 69.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.351 -0.843 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -61.02 -35.0 75.72 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.304 -0.873 . . . . 0.0 109.047 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.7 mm -74.77 -33.9 32.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.34 -37.71 83.72 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.533 0.682 . . . . 0.0 109.227 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.01 -19.68 34.09 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.625 -0.672 . . . . 0.0 109.443 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.566 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -67.06 -28.99 68.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 0.0 109.212 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -79.29 -47.37 15.99 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.511 -0.743 . . . . 0.0 109.196 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -28.69 64.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 11' ' ' LYS . 8.2 p -86.47 -32.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.815 ' O ' HG22 ' A' ' 18' ' ' ILE . 22.0 t80 -59.55 -36.4 76.1 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.54 0.686 . . . . 0.0 109.185 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -25.8 64.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.459 -0.775 . . . . 0.0 109.11 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -70.21 -35.87 74.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.431 -0.793 . . . . 0.0 109.575 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 15' ' ' PHE . 2.6 tt -73.56 -26.48 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.403 -0.81 . . . . 0.0 109.557 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -42.43 68.32 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.511 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -23.31 61.51 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.32 -7.55 31.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.514 -0.741 . . . . 0.0 109.194 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 93.05 113.67 2.22 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.69 -8.85 17.09 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.318 2.012 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -11.33 30.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.291 -0.881 . . . . 0.0 109.476 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -67.0 -12.14 59.01 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.213 -0.929 . . . . 0.0 109.43 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.67 -25.89 13.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 109.415 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -79.41 -32.58 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.419 -0.801 . . . . 0.0 109.424 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.86 -27.57 60.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.476 -0.765 . . . . 0.0 109.37 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -68.04 -24.81 65.13 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.844 . . . . 0.0 109.637 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -60.66 -30.62 70.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.374 -0.829 . . . . 0.0 109.229 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.8 mt -66.23 -36.9 78.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.553 -0.717 . . . . 0.0 109.46 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.5 -28.44 67.01 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.615 -0.678 . . . . 0.0 109.359 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -8.09 48.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.458 -0.776 . . . . 0.0 109.479 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.787 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.2 pttp . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.46 0.648 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.437 ' CD1' ' CD2' ' A' ' 5' ' ' PHE . 28.9 t90 -69.15 -5.86 25.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.443 -0.785 . . . . 0.0 109.703 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -65.35 -24.79 67.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 0.0 109.41 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.21 -31.53 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.399 -0.813 . . . . 0.0 109.297 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CD2' ' CD1' ' A' ' 2' ' ' TRP . 7.3 m-85 -59.66 -28.49 67.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 109.566 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -63.93 -32.95 74.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.165 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 4.6 tttt -70.03 -32.78 71.09 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.79 -33.46 30.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.51 84.52 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.597 0.713 . . . . 0.0 109.322 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -18.04 43.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.461 -0.775 . . . . 0.0 109.619 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.51 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -71.78 -28.75 63.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.196 -0.94 . . . . 0.0 109.235 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -71.94 -48.17 47.16 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.414 -0.804 . . . . 0.0 109.134 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.77 -38.73 75.94 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.55 -0.718 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 11' ' ' LYS . 5.1 p -73.06 -33.6 43.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 1.026 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.0 m-30 -68.07 -36.38 79.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.534 -0.729 . . . . 0.0 109.277 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -23.5 65.67 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -35.5 79.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.423 -0.798 . . . . 0.0 109.573 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 1.026 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.4 tt -73.98 -26.83 21.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.842 . . . . 0.0 109.598 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -50.89 -45.19 60.08 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -19.45 59.84 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.18 -7.23 36.31 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.426 -0.796 . . . . 0.0 109.071 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -129.59 141.87 13.04 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.67 5.25 5.73 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.472 2.115 . . . . 0.0 110.349 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -15.58 19.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.916 . . . . 0.0 109.424 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -11.41 58.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.336 -0.853 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -83.52 -13.69 53.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.0 109.683 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.95 -41.65 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.686 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.24 -27.38 56.73 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.625 -0.672 . . . . 0.0 109.46 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -76.55 -23.01 53.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.387 -0.82 . . . . 0.0 109.506 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -57.17 -30.54 64.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.316 -0.865 . . . . 0.0 109.534 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 28' ' ' PHE . 8.7 tp -71.31 -36.73 62.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -0.856 . . . . 0.0 109.486 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 31' ' ' ILE . 7.1 tp10 -69.36 -28.77 66.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.78 . . . . 0.0 109.611 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -98.27 131.41 44.62 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.446 -0.784 . . . . 0.0 109.482 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.893 ' O ' HG22 ' A' ' 4' ' ' VAL . 29.5 mtmm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.547 0.689 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -7.64 39.33 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.421 -0.799 . . . . 0.0 109.55 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -24.53 67.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 109.487 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.893 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.2 m -66.04 -31.81 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.368 -0.832 . . . . 0.0 109.526 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.03 -28.59 69.9 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.426 -0.796 . . . . 0.0 109.437 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -36.68 73.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.012 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -32.04 70.97 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 mt -74.44 -33.8 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.87 -41.4 87.34 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.612 0.72 . . . . 0.0 109.391 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -73.32 -20.62 60.75 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.6 -0.687 . . . . 0.0 109.351 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' C ' HG12 ' A' ' 14' ' ' VAL . 5.9 tttt -76.61 -28.34 56.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.415 -0.803 . . . . 0.0 109.149 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -54.71 4.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.447 -0.783 . . . . 0.0 109.164 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -58.52 -33.45 69.87 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.574 -0.704 . . . . 0.0 109.218 179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -75.9 -33.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.432 -0.792 . . . . 0.0 109.188 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -60.88 -36.97 80.59 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.558 -0.714 . . . . 0.0 109.401 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -70.65 -30.43 67.05 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -71.0 -45.15 64.49 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.465 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 tt -75.61 -27.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.481 -0.762 . . . . 0.0 109.704 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -51.37 -44.39 62.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 108.567 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.7 -20.99 60.38 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.659 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -97.4 -7.18 32.37 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.417 -0.802 . . . . 0.0 109.259 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 57.35 -174.21 2.05 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -77.37 2.47 7.68 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.503 2.136 . . . . 0.0 110.02 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.4 tttt -68.78 -9.88 53.49 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.29 -0.881 . . . . 0.0 109.538 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -15.91 35.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.262 -0.899 . . . . 0.0 109.526 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -10.67 60.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.263 -0.898 . . . . 0.0 109.492 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 24' ' ' LYS . 6.1 m -74.5 -32.57 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.209 -0.932 . . . . 0.0 109.556 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -69.89 -28.96 66.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.819 . . . . 0.0 109.536 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -26.99 46.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.34 -0.85 . . . . 0.0 109.184 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -30.69 71.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.35 -0.844 . . . . 0.0 109.113 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 31' ' ' ILE . 11.5 mt -64.36 -36.58 77.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.571 -0.706 . . . . 0.0 109.371 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.72 -28.62 66.0 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.601 -0.687 . . . . 0.0 109.387 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -80.83 -5.03 56.75 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.386 -0.821 . . . . 0.0 109.435 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 10.8 t-105 -65.52 -19.62 66.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.421 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 3.6 tptm -66.51 -27.6 67.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.411 -0.806 . . . . 0.0 109.176 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.82 -31.6 47.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.462 -0.774 . . . . 0.0 109.463 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -29.97 70.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.0 109.603 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 10.3 mttm -69.9 -31.66 69.57 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 mt -73.89 -33.25 36.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.3 -49.44 67.07 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.632 0.73 . . . . 0.0 109.106 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.42 -19.69 61.54 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.558 -0.714 . . . . 0.0 109.303 179.818 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 16.7 tttt -66.78 -31.6 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.133 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.55 -50.48 44.46 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.427 -0.795 . . . . 0.0 109.057 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.79 -23.18 51.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.06 -39.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 33.1 t80 -63.43 -36.3 83.28 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.583 0.706 . . . . 0.0 109.302 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.49 -25.06 68.08 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.442 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -70.44 -44.47 67.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.351 -0.843 . . . . 0.0 109.697 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' A' ' 22' ' ' GLY . 19.9 pt -66.62 -26.45 37.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.397 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.01 -42.37 69.01 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.184 -0.948 . . . . 0.0 108.487 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -23.35 61.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' O ' ' HD3' ' A' ' 23' ' ' PRO . . . -97.18 -7.5 32.29 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.51 -0.744 . . . . 0.0 109.19 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -112.76 92.36 0.63 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 35.8 Cg_endo -77.69 5.52 5.17 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.568 2.179 . . . . 0.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -17.76 6.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 109.533 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -11.86 60.8 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.322 -0.861 . . . . 0.0 109.678 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -80.72 0.62 33.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.175 -0.953 . . . . 0.0 109.649 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.98 -32.48 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.205 -0.935 . . . . 0.0 109.513 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -62.3 -27.84 69.32 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.419 -0.801 . . . . 0.0 109.486 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -23.75 59.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.363 -0.836 . . . . 0.0 109.243 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -60.43 -30.62 69.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.37 -0.831 . . . . 0.0 109.343 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 mt -67.16 -36.74 77.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.508 -0.745 . . . . 0.0 109.456 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.45 -28.59 69.39 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.525 -0.735 . . . . 0.0 109.588 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -98.25 91.08 5.07 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.321 -0.862 . . . . 0.0 109.604 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' ' 4' ' ' VAL . 27.2 mtmt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.379 0.609 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -66.33 -10.96 48.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.309 -0.869 . . . . 0.0 109.479 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -55.35 -24.95 31.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 109.502 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 1' ' ' LYS . 37.4 t -50.55 -32.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.318 -0.864 . . . . 0.0 109.373 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -28.56 69.76 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.525 -0.734 . . . . 0.0 109.503 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -35.96 78.25 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 108.854 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -31.91 70.06 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.6 mt -74.38 -33.34 33.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.55 -46.99 74.25 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.688 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.63 -23.27 62.51 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.405 -0.81 . . . . 0.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -75.59 -28.25 58.85 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.129 179.631 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -80.35 -49.49 11.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.492 -0.755 . . . . 0.0 109.163 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.31 -38.4 77.02 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.485 HG12 ' C ' ' A' ' 11' ' ' LYS . 10.3 p -72.39 -33.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.931 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.3 t80 -66.72 -36.66 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.553 -0.717 . . . . 0.0 109.195 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.47 -23.7 62.95 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.405 -0.809 . . . . 0.0 109.381 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -70.03 -35.65 74.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.819 . . . . 0.0 109.5 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.975 HD11 ' HB2' ' A' ' 25' ' ' TRP . 15.9 tt -72.77 -26.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -44.4 65.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -20.21 58.43 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 18' ' ' ILE . . . -92.89 -7.75 45.3 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.108 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 86.09 160.22 33.6 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -80.05 13.64 2.13 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.875 2.383 . . . . 0.0 110.713 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 25.0 tttt -53.79 -19.1 3.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.154 -0.966 . . . . 0.0 109.6 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.975 ' HB2' HD11 ' A' ' 18' ' ' ILE . 1.3 t-105 -68.34 -7.03 27.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -0.899 . . . . 0.0 109.454 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 1.25 4.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.569 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.6 t -79.01 -32.57 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.175 -0.953 . . . . 0.0 109.562 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 9.6 p90 -65.39 -27.86 68.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.82 . . . . 0.0 109.596 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -60.24 -27.17 66.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.358 -0.839 . . . . 0.0 109.519 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -31.48 67.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.5 -0.75 . . . . 0.0 109.213 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 mt -71.49 -36.86 62.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-O 121.569 0.699 . . . . 0.0 109.492 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.03 -28.76 68.49 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.567 -0.708 . . . . 0.0 109.674 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -94.49 -43.13 8.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.365 -0.835 . . . . 0.0 109.522 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.461 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -67.83 -22.71 65.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.461 ' HG2' ' HB3' ' A' ' 1' ' ' LYS . 4.7 ptmt -67.13 -25.1 66.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.0 109.418 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 5.3 t -64.14 -31.26 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.398 -0.813 . . . . 0.0 109.313 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.14 -28.72 69.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.501 -0.749 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -35.73 77.78 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.863 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.36 -32.05 70.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.21 -33.49 34.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.65 -43.64 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.546 0.688 . . . . 0.0 109.52 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -78.42 -24.27 46.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.479 -0.763 . . . . 0.0 109.573 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -74.99 -27.62 60.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 0.0 109.228 179.72 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -79.5 -49.81 11.7 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.384 -0.822 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HE2' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.71 -39.08 76.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.433 -0.792 . . . . 0.0 109.037 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 10' ' ' LYS . 12.3 p -74.43 -32.61 31.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' HA ' HG22 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -62.39 -36.94 83.86 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.55 -0.719 . . . . 0.0 109.32 179.792 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -60.57 -33.49 72.79 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.564 -0.71 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -47.47 60.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.19 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 22' ' ' GLY . 5.6 tp -75.44 -26.45 18.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.619 -0.676 . . . . 0.0 109.459 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -54.54 -42.05 70.47 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.222 -0.924 . . . . 0.0 108.607 179.507 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -23.51 61.41 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.24 -7.58 31.93 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.454 -0.779 . . . . 0.0 109.144 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -121.5 158.18 16.27 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.22 -1.31 11.49 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.687 2.258 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -66.77 -10.26 45.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.898 . . . . 0.0 109.609 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.429 ' O ' ' CE3' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -63.1 -25.22 68.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 0.0 109.361 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -104.97 -16.98 14.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.421 -0.8 . . . . 0.0 109.059 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 59.2 t -73.45 -32.55 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.413 -0.805 . . . . 0.0 109.353 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -27.69 68.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.481 -0.762 . . . . 0.0 109.448 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -24.7 67.96 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.427 -0.796 . . . . 0.0 109.501 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -59.28 -30.45 68.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.318 -0.864 . . . . 0.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 56.9 mt -66.44 -38.76 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.516 -0.74 . . . . 0.0 109.453 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -28.54 67.44 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.511 -0.743 . . . . 0.0 109.451 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.34 133.55 35.35 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.417 -0.802 . . . . 0.0 109.407 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.413 0.625 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -18.66 63.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.388 -0.82 . . . . 0.0 109.574 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -67.27 -24.74 65.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.2 -31.53 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.494 -0.754 . . . . 0.0 109.528 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -29.04 69.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.513 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -66.1 -33.71 76.39 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.257 -0.902 . . . . 0.0 108.718 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -70.15 -32.52 70.54 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -74.46 -32.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.36 -47.49 76.24 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.495 0.664 . . . . 0.0 109.612 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -75.59 -23.64 56.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.4 -0.812 . . . . 0.0 109.39 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.38 -27.87 59.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.392 -0.817 . . . . 0.0 109.115 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.435 ' CE3' ' HA ' ' A' ' 12' ' ' TRP . 4.9 m95 -78.63 -50.03 12.19 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 109.413 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -30.05 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.564 -0.71 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG12 ' C ' ' A' ' 11' ' ' LYS . 10.9 p -83.09 -33.04 9.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 18' ' ' ILE . 1.2 t80 -62.8 -36.48 83.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.595 -0.69 . . . . 0.0 109.348 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.453 -0.779 . . . . 0.0 109.232 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.506 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -70.17 -45.23 67.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.547 -0.721 . . . . 0.0 109.219 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -75.21 -27.82 19.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.544 -0.723 . . . . 0.0 109.516 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -41.98 71.99 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -74.33 -21.73 59.57 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.24 -7.49 35.41 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -118.33 86.89 0.41 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 36.3 Cg_endo -79.17 44.63 1.73 Allowed 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.795 2.33 . . . . 0.0 110.535 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -70.61 -11.2 60.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.138 -0.976 . . . . 0.0 109.212 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -13.62 62.23 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.288 -0.882 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 23' ' ' PRO . 11.5 pttm -82.92 -15.54 50.96 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.18 -0.95 . . . . 0.0 109.173 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.8 t -76.89 -32.59 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.853 . . . . 0.0 109.154 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -71.54 -31.49 67.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.41 -0.807 . . . . 0.0 109.116 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -33.35 51.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.523 -0.735 . . . . 0.0 109.193 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -30.85 67.43 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.526 -0.733 . . . . 0.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 31' ' ' ILE . 22.4 mm -71.01 -37.57 68.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.515 -0.741 . . . . 0.0 109.216 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.24 -28.77 66.63 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.57 -0.706 . . . . 0.0 109.4 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -76.59 -67.15 0.72 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.405 -0.81 . . . . 0.0 109.415 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.543 ' O ' HG13 ' A' ' 4' ' ' VAL . 3.4 pttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -65.17 -10.93 35.21 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 109.322 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -62.29 -24.48 67.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.905 . . . . 0.0 109.137 179.81 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 1' ' ' LYS . 33.3 m -47.52 -34.89 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.581 -0.699 . . . . 0.0 109.386 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.405 ' N ' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -65.49 -28.8 69.46 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.223 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -33.67 76.08 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 21.6 mttt -70.19 -32.18 69.99 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 mm -74.02 -33.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.47 -44.77 81.83 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.568 0.699 . . . . 0.0 109.297 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.3 mmtt -79.69 -17.62 53.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -69.15 -28.75 66.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.412 -0.805 . . . . 0.0 109.417 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -57.19 4.09 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.491 -0.756 . . . . 0.0 109.427 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -20.59 39.26 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 10' ' ' LYS . 40.4 t -84.88 -39.18 13.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.724 0.773 . . . . 0.0 108.982 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -36.76 80.91 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.25 -24.78 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.537 -0.727 . . . . 0.0 109.224 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.27 -37.35 74.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.363 -0.836 . . . . 0.0 109.367 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 22' ' ' GLY . 15.2 mt -64.19 -43.48 97.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.608 -0.682 . . . . 0.0 109.374 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.91 -39.68 40.74 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -71.82 -24.53 61.73 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -97.27 -7.74 31.44 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.144 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 92.94 144.85 15.45 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 35.8 Cg_endo -78.98 5.49 5.67 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.672 2.248 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -59.44 -14.14 11.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 109.879 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -14.1 11.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.592 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 23' ' ' PRO . 13.7 pttm -94.7 17.16 13.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.174 -0.954 . . . . 0.0 109.598 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.18 -32.6 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.596 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.889 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -73.79 -27.66 61.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.424 -0.798 . . . . 0.0 109.544 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -78.67 -23.71 45.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.449 -0.782 . . . . 0.0 109.725 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -30.7 69.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.369 -0.832 . . . . 0.0 109.965 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.889 HG22 ' O ' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -66.13 -35.7 75.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.272 -0.892 . . . . 0.0 109.486 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -58.35 -28.63 65.28 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.373 -0.829 . . . . 0.0 109.686 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -105.47 78.08 1.34 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.389 -0.819 . . . . 0.0 109.463 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.48 ' O ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.352 0.596 . . . . 0.0 109.54 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -69.5 -11.23 60.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.341 -0.85 . . . . 0.0 109.503 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -60.32 -24.86 65.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.154 -0.966 . . . . 0.0 109.306 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 1' ' ' LYS . 11.4 m -55.28 -31.42 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.382 -0.824 . . . . 0.0 109.478 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -59.95 -28.47 67.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.521 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.1 tmtm? -56.95 -37.69 71.89 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.263 -0.898 . . . . 0.0 109.136 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.3 mttm -69.04 -31.61 70.52 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mm -74.84 -33.62 30.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.48 -52.46 64.42 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.4 0.619 . . . . 0.0 109.437 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -61.9 -25.28 67.47 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.518 -0.739 . . . . 0.0 109.075 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.61 -28.01 58.7 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.472 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -81.05 -51.85 8.04 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.585 -0.697 . . . . 0.0 109.235 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -29.7 66.09 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.602 -0.686 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 11' ' ' LYS . 8.9 p -82.69 -33.04 10.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 108.838 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.683 ' CE1' HD11 ' A' ' 18' ' ' ILE . 38.1 t80 -64.63 -36.67 84.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.603 0.716 . . . . 0.0 109.219 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -23.61 67.4 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.414 -0.804 . . . . 0.0 109.141 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -66.98 -39.62 87.21 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.488 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.683 HD11 ' CE1' ' A' ' 15' ' ' PHE . 2.0 pt -75.11 -26.64 19.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.436 -0.79 . . . . 0.0 109.347 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' N ' HG13 ' A' ' 18' ' ' ILE . 6.8 tp10 -53.51 -42.65 67.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -22.29 60.79 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . . . -97.0 -7.58 32.63 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.463 -0.773 . . . . 0.0 109.154 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 49.67 -177.63 0.03 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -78.18 4.9 5.82 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.666 2.244 . . . . 0.0 110.238 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 5.3 tptp -61.11 -13.22 15.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.308 -0.87 . . . . 0.0 109.516 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.555 ' O ' ' CE3' ' A' ' 25' ' ' TRP . 3.8 t90 -57.72 -18.21 19.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 0.0 109.521 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -66.65 -24.59 66.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.327 -0.858 . . . . 0.0 109.393 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.36 -32.16 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.333 -0.855 . . . . 0.0 109.417 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CD2' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -57.93 -27.67 63.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.505 -0.747 . . . . 0.0 109.724 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 1.2 pttt -57.95 -29.21 65.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.333 -0.854 . . . . 0.0 109.56 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -60.55 -30.62 69.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 0.0 109.298 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.452 HD12 ' CD2' ' A' ' 28' ' ' PHE . 33.3 mt -64.7 -38.49 82.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.433 -0.792 . . . . 0.0 109.197 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.14 -28.66 66.65 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.602 -0.686 . . . . 0.0 109.428 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.47 119.31 27.62 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.467 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.481 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -64.17 -11.11 27.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.382 -0.824 . . . . 0.0 109.554 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -53.27 -24.49 11.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.193 -0.942 . . . . 0.0 109.448 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.5 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 54.0 t -50.09 -31.65 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.389 -0.819 . . . . 0.0 109.364 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.4 -28.59 65.34 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 109.364 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.83 -35.43 78.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.362 -0.836 . . . . 0.0 108.879 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -32.15 70.66 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -74.19 -33.74 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.02 -40.86 87.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.93 -27.66 66.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -71.86 -29.02 63.93 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -57.42 4.42 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.89 63.34 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 10' ' ' LYS . 39.4 t -74.56 -41.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 1.2 t80 -65.03 -36.3 83.94 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.628 0.728 . . . . 0.0 109.076 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -23.4 67.36 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.61 -0.682 . . . . 0.0 109.502 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -70.14 -34.97 73.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 0.0 109.613 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.0 pt -75.49 -26.65 18.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.577 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.51 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.1 -44.74 64.55 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.177 -0.952 . . . . 0.0 108.655 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.3 ptmt -76.0 -19.19 58.89 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' HD3' ' A' ' 23' ' ' PRO . . . -96.7 -6.08 37.27 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.443 -0.786 . . . . 0.0 108.996 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -132.82 65.52 0.59 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 22' ' ' GLY . 35.9 Cg_endo -78.29 6.73 4.52 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.683 2.255 . . . . 0.0 110.476 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -53.98 -19.44 4.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.162 -0.961 . . . . 0.0 109.409 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -92.28 -8.68 44.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.38 -0.825 . . . . 0.0 109.415 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HG2' ' HB2' ' A' ' 29' ' ' LYS . 2.3 tttp -108.47 0.28 20.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -57.64 -32.89 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.157 -0.964 . . . . 0.0 109.349 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.56 -27.63 58.68 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.469 -0.77 . . . . 0.0 109.21 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.11 -23.39 66.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.501 -0.75 . . . . 0.0 109.413 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -30.57 65.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.408 -0.807 . . . . 0.0 109.465 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -65.93 -40.39 87.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 121.442 -0.786 . . . . 0.0 109.259 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.26 -28.62 66.47 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.557 -0.714 . . . . 0.0 109.404 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -84.52 -90.86 0.09 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.392 -0.817 . . . . 0.0 109.469 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.8 t90 56.95 -84.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 0.0 109.424 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 1' ' ' LYS . 7.6 pttm -56.69 -24.51 49.6 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.573 -0.704 . . . . 0.0 109.331 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.472 ' HB ' ' N ' ' A' ' 1' ' ' LYS . 54.5 t -65.25 -31.76 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 109.506 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.16 -28.25 69.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.496 -0.753 . . . . 0.0 109.498 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 2.7 mmtp -56.71 -34.96 67.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 109.105 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -69.32 -32.58 71.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -74.97 -33.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.02 -35.87 80.86 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.576 0.703 . . . . 0.0 109.158 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.887 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -74.07 -27.21 60.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.628 -0.67 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' C ' HG22 ' A' ' 14' ' ' VAL . 20.0 tttp -71.51 -28.67 64.06 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -0.83 . . . . 0.0 109.044 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -72.57 -54.84 8.03 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.435 -0.79 . . . . 0.0 109.369 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.16 -48.0 81.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.581 -0.7 . . . . 0.0 109.693 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 10' ' ' LYS . 14.6 m -58.99 -33.31 49.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 109.088 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.739 ' O ' HG22 ' A' ' 18' ' ' ILE . 64.8 t80 -66.14 -36.65 83.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.458 -0.776 . . . . 0.0 109.237 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -67.98 -23.47 65.04 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.563 -0.711 . . . . 0.0 109.159 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -70.02 -39.16 75.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 15' ' ' PHE . 7.9 tt -75.65 -26.92 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.492 -0.755 . . . . 0.0 109.705 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.49 -40.95 79.75 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.224 -0.922 . . . . 0.0 108.698 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -23.85 61.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' O ' ' HD3' ' A' ' 23' ' ' PRO . . . -97.51 -7.41 31.48 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 109.136 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -114.77 83.78 0.34 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 35.3 Cg_endo -77.89 -9.92 16.83 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.594 2.196 . . . . 0.0 110.333 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' O ' HG12 ' A' ' 27' ' ' VAL . 5.9 mttp -65.08 -10.62 31.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 109.386 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -11.89 54.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 0.0 109.397 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 -10.8 14.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.379 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 24' ' ' LYS . 9.0 p -61.59 -32.67 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.192 -0.942 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.751 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.6 m-85 -59.54 -30.55 68.69 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.402 -0.812 . . . . 0.0 109.414 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -23.28 46.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.475 -0.765 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -57.68 -31.92 66.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.37 -0.831 . . . . 0.0 109.855 -179.417 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -71.29 -36.11 60.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.292 -0.88 . . . . 0.0 109.468 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 31' ' ' ILE . 1.9 tt0 -68.81 -28.64 66.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.455 -0.778 . . . . 0.0 109.548 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 63.31 3.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.355 -0.841 . . . . 0.0 109.399 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -62.92 -14.0 41.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.918 . . . . 0.0 109.292 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' HA ' ' HG3' ' A' ' 6' ' ' LYS . 22.4 ttpt -62.15 -25.03 67.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.307 -0.871 . . . . 0.0 109.214 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.71 -31.85 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.35 -0.844 . . . . 0.0 109.3 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -63.76 -28.74 70.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.237 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HG3' ' HA ' ' A' ' 3' ' ' LYS . 6.6 mttp -62.77 -35.58 80.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 7' ' ' LYS . 7.1 mmtm -69.56 -31.88 70.34 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 8' ' ' ILE . 21.3 mt -73.67 -33.57 38.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -44.56 81.76 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.613 0.72 . . . . 0.0 109.172 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.494 -0.753 . . . . 0.0 109.093 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -76.38 -28.07 56.63 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -48.73 30.6 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.514 -0.741 . . . . 0.0 109.371 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.95 68.22 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.576 -0.703 . . . . 0.0 109.175 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 27.6 m -81.05 -33.04 12.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -36.61 84.6 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.529 -0.732 . . . . 0.0 109.196 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -67.78 -27.59 66.88 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 109.007 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.46 73.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 0.0 109.031 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' GLY . 28.9 mt -67.72 -37.98 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.557 -0.714 . . . . 0.0 109.376 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.01 -40.54 58.42 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -24.18 61.41 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.99 -7.59 32.65 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.474 -0.766 . . . . 0.0 108.956 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -116.26 101.2 0.97 Allowed Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.53 7.4 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.476 2.117 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HA ' HG23 ' A' ' 27' ' ' VAL . 5.1 tttt -57.24 -16.89 9.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.967 . . . . 0.0 109.286 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -60.06 -26.77 66.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.312 -0.867 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -83.54 -17.28 42.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.343 -0.848 . . . . 0.0 109.06 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.588 HG12 ' NZ ' ' A' ' 30' ' ' LYS . 5.9 t -79.23 -32.49 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.518 -0.738 . . . . 0.0 109.298 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.668 ' O ' HG22 ' A' ' 31' ' ' ILE . 11.1 m-85 -60.89 -27.48 68.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.48 -0.763 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -57.54 -23.36 50.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 109.39 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.588 ' NZ ' HG12 ' A' ' 27' ' ' VAL . 14.1 pttt -57.77 -31.14 66.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 0.0 109.654 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 28' ' ' PHE . 1.9 tt -71.4 -36.64 61.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.43 -0.794 . . . . 0.0 109.672 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -28.77 67.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.392 -0.818 . . . . 0.0 109.374 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -103.18 -44.56 5.16 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.54 -0.725 . . . . 0.0 109.252 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.279 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.782 ' O ' HG22 ' A' ' 4' ' ' VAL . 5.5 mtpt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -68.84 -6.61 27.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.167 -0.958 . . . . 0.0 109.61 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -24.77 67.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.225 -0.922 . . . . 0.0 108.974 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 1' ' ' LYS . 16.8 m -59.1 -31.44 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.572 -0.705 . . . . 0.0 109.244 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -57.47 -27.81 62.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 0.0 109.355 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -37.64 71.12 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.191 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -68.86 -31.9 71.19 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 mt -74.38 -33.45 33.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -66.69 -42.33 86.65 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.644 0.735 . . . . 0.0 109.077 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 14' ' ' VAL . 19.2 pttt -81.14 -23.05 38.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.577 -0.702 . . . . 0.0 109.434 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' C ' HG12 ' A' ' 14' ' ' VAL . 1.1 tmtm? -62.68 -28.71 70.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 109.059 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -50.78 6.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -58.37 -29.77 66.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 10' ' ' LYS . 7.1 p -81.81 -34.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.527 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 56.5 t80 -68.11 -36.38 79.66 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -23.41 65.81 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 2.8 tppt? -68.34 -40.12 81.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.513 -0.742 . . . . 0.0 109.168 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 15' ' ' PHE . 20.5 pt -75.4 -28.37 20.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.606 -0.684 . . . . 0.0 109.24 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.15 -40.39 81.24 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -74.05 -22.79 59.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.25 -7.35 35.76 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 103.21 157.53 25.05 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -78.28 -9.6 16.36 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.759 2.306 . . . . 0.0 110.368 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -17.24 9.53 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -0.94 . . . . 0.0 109.328 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -90.89 -5.77 55.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.322 -0.861 . . . . 0.0 109.455 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -13.22 11.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.0 109.245 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.79 -32.67 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.3 -34.64 70.79 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.502 -0.749 . . . . 0.0 109.416 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -78.26 -30.67 48.69 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.513 -0.742 . . . . 0.0 109.302 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -30.56 70.62 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.492 -0.755 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 31' ' ' ILE . 24.1 mm -64.29 -36.95 78.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.526 -0.734 . . . . 0.0 109.401 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -69.09 -28.83 66.85 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.492 -0.755 . . . . 0.0 109.528 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -105.55 59.05 0.67 Allowed 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.424 -0.798 . . . . 0.0 109.519 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.797 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.438 0.637 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.3 -28.58 65.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.443 -0.786 . . . . 0.0 109.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -38.0 72.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 108.864 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -69.29 -31.58 70.16 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.06 -33.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -47.76 71.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.554 0.692 . . . . 0.0 109.353 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 17.1 mmtt -73.96 -17.91 60.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.646 -0.659 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.05 -28.52 60.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.379 -0.826 . . . . 0.0 109.295 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -84.53 -56.08 3.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.372 -0.83 . . . . 0.0 109.309 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -58.5 -24.61 60.9 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.61 -0.681 . . . . 0.0 109.424 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.2 p -86.28 -33.42 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.175 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.784 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -66.99 -36.49 82.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.505 -0.747 . . . . 0.0 109.321 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.59 67.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.395 -0.815 . . . . 0.0 109.327 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -69.08 -38.97 79.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.405 -0.81 . . . . 0.0 109.527 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 15' ' ' PHE . 15.6 tt -75.4 -28.06 19.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 O-C-N 121.487 -0.758 . . . . 0.0 109.414 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -50.3 -44.3 54.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -73.33 -20.97 60.67 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.503 -0.748 . . . . 0.0 109.18 179.701 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.459 0.647 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -28.75 66.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.463 -0.773 . . . . 0.0 109.495 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -60.11 -36.6 77.81 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.557 -0.857 . . . . 0.0 108.803 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 7.2 mt -74.08 -33.41 35.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.65 -46.85 74.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.532 0.682 . . . . 0.0 109.295 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.606 ' O ' HG12 ' A' ' 14' ' ' VAL . 1.3 mttm -80.31 -17.89 50.76 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.656 -0.653 . . . . 0.0 109.351 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.526 ' C ' HG12 ' A' ' 14' ' ' VAL . 3.3 mtpt -64.97 -28.51 69.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 109.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -57.3 3.19 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.342 -0.849 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -23.67 60.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.584 -0.698 . . . . 0.0 109.415 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 10' ' ' LYS . 9.8 p -86.11 -33.42 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.282 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.08 -36.61 82.36 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.0 109.424 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -62.96 -23.67 67.52 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.504 -0.747 . . . . 0.0 109.31 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -67.8 -35.59 78.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.43 -0.794 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' ALA . 18.7 mm -71.03 -37.83 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.479 -0.763 . . . . 0.0 109.509 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -40.82 40.28 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -70.89 -24.97 62.59 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.541 -0.725 . . . . 0.0 109.195 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.493 0.663 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -28.88 69.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.437 -0.789 . . . . 0.0 109.396 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -63.33 -34.53 77.9 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.68 -32.4 71.0 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -74.21 -33.58 35.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.64 -40.5 88.73 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.821 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.18 -18.59 38.82 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.527 -0.733 . . . . 0.0 109.307 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -65.7 -28.45 69.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -82.05 -54.28 5.42 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.38 -0.825 . . . . 0.0 109.543 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -58.16 -28.24 64.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.494 -0.754 . . . . 0.0 109.534 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 10' ' ' LYS . 22.4 m -83.9 -32.84 8.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.433 -0.792 . . . . 0.0 108.919 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 7.1 t80 -63.32 -36.8 84.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.467 -0.77 . . . . 0.0 109.313 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -23.93 64.25 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.566 -0.709 . . . . 0.0 109.123 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.457 -0.777 . . . . 0.0 109.242 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ALA . 30.6 mt -63.0 -38.57 82.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -49.86 -40.64 43.13 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -70.85 -25.09 62.67 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.441 -0.787 . . . . 0.0 109.145 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.364 0.602 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.96 -28.66 66.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.438 -0.789 . . . . 0.0 109.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -37.39 74.01 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.636 -0.826 . . . . 0.0 108.973 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -69.27 -31.81 70.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.25 -33.29 34.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.95 -44.97 79.21 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.494 0.664 . . . . 0.0 109.45 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.565 ' O ' HG12 ' A' ' 14' ' ' VAL . 12.5 tttp -76.39 -19.13 58.44 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' C ' HG12 ' A' ' 14' ' ' VAL . 2.0 ttmt -71.04 -28.83 64.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.331 -0.856 . . . . 0.0 109.133 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.48 -52.32 5.42 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.68 -25.99 63.39 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.16 -33.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.81 -36.85 81.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.195 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -23.57 67.41 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.535 -0.728 . . . . 0.0 109.14 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 18.0 mttt -66.44 -44.47 82.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.423 -0.798 . . . . 0.0 109.344 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 15' ' ' PHE . 16.3 pt -75.35 -26.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.496 -0.752 . . . . 0.0 109.446 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -41.24 72.94 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 108.584 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -71.42 -24.24 62.0 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.474 0 O-C-N 121.467 -0.771 . . . . 0.0 109.094 179.507 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.482 0.658 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.65 -28.47 69.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.472 -0.767 . . . . 0.0 109.583 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -56.85 -38.05 72.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 108.902 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -69.15 -31.65 70.46 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 mm -74.05 -33.23 35.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.602 0.715 . . . . 0.0 109.326 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 8.5 mtpt -65.85 -22.0 66.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.549 -0.719 . . . . 0.0 109.196 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -77.09 -28.01 54.39 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.402 -0.811 . . . . 0.0 109.108 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.513 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -83.98 -56.62 3.58 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -58.42 -24.84 61.23 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.589 -0.694 . . . . 0.0 109.391 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.29 -33.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.333 -0.855 . . . . 0.0 109.152 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.63 -36.63 81.29 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.511 -0.743 . . . . 0.0 109.47 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.62 -30.01 69.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.418 -0.801 . . . . 0.0 109.351 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -70.34 -36.28 74.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.43 -0.794 . . . . 0.0 109.351 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' ALA . 12.1 mt -75.36 -37.68 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.618 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -40.27 38.08 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.894 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -69.06 -27.04 65.27 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.459 -0.775 . . . . 0.0 109.0 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.466 -0.771 . . . . 0.0 109.262 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.0 m . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.401 0.619 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.69 -28.62 69.54 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.451 -0.78 . . . . 0.0 109.463 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -57.51 -37.36 72.86 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.028 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -69.18 -31.85 70.76 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 mt -74.4 -33.25 32.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.59 -42.94 86.2 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.59 0.709 . . . . 0.0 109.215 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -70.5 -21.91 62.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.551 -0.718 . . . . 0.0 109.311 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.78 -28.29 58.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.058 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -85.11 -55.24 4.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.474 -0.767 . . . . 0.0 109.142 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -58.68 -25.63 63.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -84.79 -33.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.05 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.597 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -65.67 -36.73 84.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.536 -0.727 . . . . 0.0 109.294 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -63.71 -23.57 67.42 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.219 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -69.84 -47.31 63.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 109.239 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.2 tt -71.96 -26.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.6 -0.687 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -44.12 54.49 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -72.61 -21.95 61.04 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.512 -0.743 . . . . 0.0 109.236 179.733 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.567 0.699 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -27.77 62.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.453 -0.779 . . . . 0.0 109.438 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -38.76 71.03 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 108.845 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -69.14 -31.47 70.17 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.6 mt -73.77 -32.98 36.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -53.27 41.65 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.497 0.665 . . . . 0.0 109.571 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -20.14 64.2 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.415 -0.803 . . . . 0.0 109.074 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -76.34 -27.97 56.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -57.06 3.96 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.478 -0.764 . . . . 0.0 109.469 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HA ' ' HZ2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.72 -34.02 70.87 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.54 -0.725 . . . . 0.0 109.853 -179.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 11' ' ' LYS . 9.8 p -74.07 -33.0 34.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.073 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 18' ' ' ILE . 1.1 m-85 -65.99 -36.67 83.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.458 -0.776 . . . . 0.0 109.395 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -64.25 -23.91 67.48 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.45 -0.781 . . . . 0.0 109.418 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 14' ' ' VAL . 4.1 mmtm -70.31 -45.93 65.28 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.518 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 15' ' ' PHE . 3.9 pt -75.37 -27.25 19.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.436 -0.79 . . . . 0.0 109.723 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -58.1 -40.42 81.12 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -24.07 61.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.489 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.546 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.404 0.621 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.23 -28.65 69.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.351 -0.843 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -61.02 -35.0 75.72 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.304 -0.873 . . . . 0.0 109.047 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.7 mm -74.77 -33.9 32.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.34 -37.71 83.72 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.533 0.682 . . . . 0.0 109.227 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.01 -19.68 34.09 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.625 -0.672 . . . . 0.0 109.443 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.566 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -67.06 -28.99 68.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 0.0 109.212 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -79.29 -47.37 15.99 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.511 -0.743 . . . . 0.0 109.196 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -28.69 64.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 11' ' ' LYS . 8.2 p -86.47 -32.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.815 ' O ' HG22 ' A' ' 18' ' ' ILE . 22.0 t80 -59.55 -36.4 76.1 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.54 0.686 . . . . 0.0 109.185 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -25.8 64.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.459 -0.775 . . . . 0.0 109.11 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -70.21 -35.87 74.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.431 -0.793 . . . . 0.0 109.575 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 15' ' ' PHE . 2.6 tt -73.56 -26.48 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.403 -0.81 . . . . 0.0 109.557 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -42.43 68.32 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.511 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -23.31 61.51 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.514 -0.741 . . . . 0.0 109.194 179.681 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.512 0.672 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -59.66 -28.49 67.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 109.566 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -63.93 -32.95 74.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.165 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 4.6 tttt -70.03 -32.78 71.09 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.79 -33.46 30.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.51 84.52 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.597 0.713 . . . . 0.0 109.322 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -18.04 43.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.461 -0.775 . . . . 0.0 109.619 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.51 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -71.78 -28.75 63.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.196 -0.94 . . . . 0.0 109.235 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -71.94 -48.17 47.16 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.414 -0.804 . . . . 0.0 109.134 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.77 -38.73 75.94 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.55 -0.718 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 11' ' ' LYS . 5.1 p -73.06 -33.6 43.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 1.026 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.0 m-30 -68.07 -36.38 79.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.534 -0.729 . . . . 0.0 109.277 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -23.5 65.67 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -35.5 79.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.423 -0.798 . . . . 0.0 109.573 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 1.026 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.4 tt -73.98 -26.83 21.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.842 . . . . 0.0 109.598 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -50.89 -45.19 60.08 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -19.45 59.84 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.505 0 O-C-N 121.426 -0.796 . . . . 0.0 109.071 179.631 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.379 0.609 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.03 -28.59 69.9 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.426 -0.796 . . . . 0.0 109.437 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -36.68 73.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.012 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -32.04 70.97 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 mt -74.44 -33.8 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.87 -41.4 87.34 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.612 0.72 . . . . 0.0 109.391 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -73.32 -20.62 60.75 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.6 -0.687 . . . . 0.0 109.351 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.489 ' C ' HG12 ' A' ' 14' ' ' VAL . 5.9 tttt -76.61 -28.34 56.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.415 -0.803 . . . . 0.0 109.149 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -54.71 4.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.447 -0.783 . . . . 0.0 109.164 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -58.52 -33.45 69.87 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.574 -0.704 . . . . 0.0 109.218 179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -75.9 -33.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.432 -0.792 . . . . 0.0 109.188 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -60.88 -36.97 80.59 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.558 -0.714 . . . . 0.0 109.401 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -70.65 -30.43 67.05 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -71.0 -45.15 64.49 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.465 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 tt -75.61 -27.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.481 -0.762 . . . . 0.0 109.704 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -51.37 -44.39 62.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 108.567 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.7 -20.99 60.38 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.659 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . . . . . . 0 C--N 1.301 -1.504 0 O-C-N 121.417 -0.802 . . . . 0.0 109.259 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.445 0.64 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -29.97 70.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.0 109.603 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 10.3 mttm -69.9 -31.66 69.57 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 mt -73.89 -33.25 36.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.3 -49.44 67.07 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.632 0.73 . . . . 0.0 109.106 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.42 -19.69 61.54 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.558 -0.714 . . . . 0.0 109.303 179.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 16.7 tttt -66.78 -31.6 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.133 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.55 -50.48 44.46 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.427 -0.795 . . . . 0.0 109.057 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.79 -23.18 51.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.06 -39.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 33.1 t80 -63.43 -36.3 83.28 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.583 0.706 . . . . 0.0 109.302 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.49 -25.06 68.08 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.442 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -70.44 -44.47 67.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.351 -0.843 . . . . 0.0 109.697 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 15' ' ' PHE . 19.9 pt -66.62 -26.45 37.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.397 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.01 -42.37 69.01 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.184 -0.948 . . . . 0.0 108.487 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -23.35 61.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.51 -0.744 . . . . 0.0 109.19 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.512 0.673 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -28.56 69.76 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.525 -0.734 . . . . 0.0 109.503 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -35.96 78.25 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 108.854 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -31.91 70.06 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.6 mt -74.38 -33.34 33.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.55 -46.99 74.25 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.688 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.63 -23.27 62.51 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.405 -0.81 . . . . 0.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -75.59 -28.25 58.85 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.129 179.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -80.35 -49.49 11.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.492 -0.755 . . . . 0.0 109.163 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.31 -38.4 77.02 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.485 HG12 ' C ' ' A' ' 11' ' ' LYS . 10.3 p -72.39 -33.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.931 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.3 t80 -66.72 -36.66 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.553 -0.717 . . . . 0.0 109.195 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.47 -23.7 62.95 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.405 -0.809 . . . . 0.0 109.381 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -70.03 -35.65 74.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.819 . . . . 0.0 109.5 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.931 HG22 ' O ' ' A' ' 15' ' ' PHE . 15.9 tt -72.77 -26.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -44.4 65.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -20.21 58.43 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.303 -1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.108 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.14 -28.72 69.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.501 -0.749 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -35.73 77.78 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.863 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.36 -32.05 70.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.21 -33.49 34.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.65 -43.64 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.546 0.688 . . . . 0.0 109.52 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -78.42 -24.27 46.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.479 -0.763 . . . . 0.0 109.573 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -74.99 -27.62 60.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 0.0 109.228 179.72 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -79.5 -49.81 11.7 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.384 -0.822 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' O ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.71 -39.08 76.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.433 -0.792 . . . . 0.0 109.037 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 10' ' ' LYS . 12.3 p -74.43 -32.61 31.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' HA ' HG22 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -62.39 -36.94 83.86 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.55 -0.719 . . . . 0.0 109.32 179.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -60.57 -33.49 72.79 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.564 -0.71 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -47.47 60.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.19 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 15' ' ' PHE . 5.6 tp -75.44 -26.45 18.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.619 -0.676 . . . . 0.0 109.459 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -54.54 -42.05 70.47 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.222 -0.924 . . . . 0.0 108.607 179.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -23.51 61.41 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.5 0 O-C-N 121.454 -0.779 . . . . 0.0 109.144 179.535 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.347 0.594 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -29.04 69.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.513 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -66.1 -33.71 76.39 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.257 -0.902 . . . . 0.0 108.718 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -70.15 -32.52 70.54 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -74.46 -32.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.36 -47.49 76.24 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.495 0.664 . . . . 0.0 109.612 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -75.59 -23.64 56.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.4 -0.812 . . . . 0.0 109.39 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.38 -27.87 59.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.392 -0.817 . . . . 0.0 109.115 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.435 ' CE3' ' HA ' ' A' ' 12' ' ' TRP . 4.9 m95 -78.63 -50.03 12.19 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 109.413 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -30.05 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.564 -0.71 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG12 ' C ' ' A' ' 11' ' ' LYS . 10.9 p -83.09 -33.04 9.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 18' ' ' ILE . 1.2 t80 -62.8 -36.48 83.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.595 -0.69 . . . . 0.0 109.348 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.453 -0.779 . . . . 0.0 109.232 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.506 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -70.17 -45.23 67.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.547 -0.721 . . . . 0.0 109.219 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -75.21 -27.82 19.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.544 -0.723 . . . . 0.0 109.516 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -41.98 71.99 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -74.33 -21.73 59.57 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.522 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.431 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 5' ' ' PHE . 33.3 m . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.418 0.628 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.405 ' N ' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -65.49 -28.8 69.46 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.223 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -33.67 76.08 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 21.6 mttt -70.19 -32.18 69.99 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 mm -74.02 -33.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.47 -44.77 81.83 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.568 0.699 . . . . 0.0 109.297 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.3 mmtt -79.69 -17.62 53.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -69.15 -28.75 66.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.412 -0.805 . . . . 0.0 109.417 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -57.19 4.09 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.491 -0.756 . . . . 0.0 109.427 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -20.59 39.26 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 10' ' ' LYS . 40.4 t -84.88 -39.18 13.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.724 0.773 . . . . 0.0 108.982 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -36.76 80.91 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.25 -24.78 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.537 -0.727 . . . . 0.0 109.224 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.27 -37.35 74.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.363 -0.836 . . . . 0.0 109.367 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 21' ' ' ALA . 15.2 mt -64.19 -43.48 97.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.608 -0.682 . . . . 0.0 109.374 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.91 -39.68 40.74 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -71.82 -24.53 61.73 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.144 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.483 0.658 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -59.95 -28.47 67.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.521 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -56.95 -37.69 71.89 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.263 -0.898 . . . . 0.0 109.136 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.3 mttm -69.04 -31.61 70.52 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mm -74.84 -33.62 30.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.48 -52.46 64.42 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.4 0.619 . . . . 0.0 109.437 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -61.9 -25.28 67.47 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.518 -0.739 . . . . 0.0 109.075 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.61 -28.01 58.7 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.472 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -81.05 -51.85 8.04 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.585 -0.697 . . . . 0.0 109.235 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -29.7 66.09 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.602 -0.686 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 11' ' ' LYS . 8.9 p -82.69 -33.04 10.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 108.838 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.683 ' CE1' HD11 ' A' ' 18' ' ' ILE . 38.1 t80 -64.63 -36.67 84.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.603 0.716 . . . . 0.0 109.219 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -23.61 67.4 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.414 -0.804 . . . . 0.0 109.141 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -66.98 -39.62 87.21 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.488 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.683 HD11 ' CE1' ' A' ' 15' ' ' PHE . 2.0 pt -75.11 -26.64 19.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.436 -0.79 . . . . 0.0 109.347 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' N ' HG13 ' A' ' 18' ' ' ILE . 6.8 tp10 -53.51 -42.65 67.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -22.29 60.79 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 O-C-N 121.463 -0.773 . . . . 0.0 109.154 179.616 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.448 0.642 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.4 -28.59 65.34 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 109.364 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.83 -35.43 78.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.362 -0.836 . . . . 0.0 108.879 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -32.15 70.66 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -74.19 -33.74 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.02 -40.86 87.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.93 -27.66 66.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -71.86 -29.02 63.93 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -57.42 4.42 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.89 63.34 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 10' ' ' LYS . 39.4 t -74.56 -41.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.494 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 1.2 t80 -65.03 -36.3 83.94 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.628 0.728 . . . . 0.0 109.076 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -23.4 67.36 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.61 -0.682 . . . . 0.0 109.502 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -70.14 -34.97 73.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 0.0 109.613 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.514 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.0 pt -75.49 -26.65 18.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.577 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.51 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.1 -44.74 64.55 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.177 -0.952 . . . . 0.0 108.655 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.3 ptmt -76.0 -19.19 58.89 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 18' ' ' ILE . . . . . . . . 0 C--N 1.302 -1.468 0 O-C-N 121.443 -0.786 . . . . 0.0 108.996 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.47 0.652 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.16 -28.25 69.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.496 -0.753 . . . . 0.0 109.498 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -56.71 -34.96 67.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 109.105 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -69.32 -32.58 71.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -74.97 -33.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.02 -35.87 80.86 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.576 0.703 . . . . 0.0 109.158 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.887 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -74.07 -27.21 60.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.628 -0.67 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' C ' HG22 ' A' ' 14' ' ' VAL . 20.0 tttp -71.51 -28.67 64.06 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -0.83 . . . . 0.0 109.044 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -72.57 -54.84 8.03 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.435 -0.79 . . . . 0.0 109.369 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.452 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.16 -48.0 81.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.581 -0.7 . . . . 0.0 109.693 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 10' ' ' LYS . 14.6 m -58.99 -33.31 49.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 109.088 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.739 ' O ' HG22 ' A' ' 18' ' ' ILE . 64.8 t80 -66.14 -36.65 83.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.458 -0.776 . . . . 0.0 109.237 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -67.98 -23.47 65.04 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.563 -0.711 . . . . 0.0 109.159 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -70.02 -39.16 75.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 15' ' ' PHE . 7.9 tt -75.65 -26.92 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.492 -0.755 . . . . 0.0 109.705 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.49 -40.95 79.75 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.224 -0.922 . . . . 0.0 108.698 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -23.85 61.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 109.136 179.516 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.442 0.639 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -63.76 -28.74 70.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.237 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -62.77 -35.58 80.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 7' ' ' LYS . 7.1 mmtm -69.56 -31.88 70.34 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 8' ' ' ILE . 21.3 mt -73.67 -33.57 38.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -44.56 81.76 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.613 0.72 . . . . 0.0 109.172 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.494 -0.753 . . . . 0.0 109.093 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -76.38 -28.07 56.63 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -48.73 30.6 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.514 -0.741 . . . . 0.0 109.371 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.95 68.22 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.576 -0.703 . . . . 0.0 109.175 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 27.6 m -81.05 -33.04 12.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -36.61 84.6 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.529 -0.732 . . . . 0.0 109.196 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -67.78 -27.59 66.88 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 109.007 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.46 73.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 0.0 109.031 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 18' ' ' ILE . 28.9 mt -67.72 -37.98 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.557 -0.714 . . . . 0.0 109.376 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.01 -40.54 58.42 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -24.18 61.41 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.485 0 O-C-N 121.474 -0.766 . . . . 0.0 108.956 179.369 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 16.8 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.509 0.671 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -57.47 -27.81 62.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 0.0 109.355 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -37.64 71.12 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.191 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -68.86 -31.9 71.19 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 mt -74.38 -33.45 33.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -66.69 -42.33 86.65 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.644 0.735 . . . . 0.0 109.077 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 14' ' ' VAL . 19.2 pttt -81.14 -23.05 38.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.577 -0.702 . . . . 0.0 109.434 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' C ' HG12 ' A' ' 14' ' ' VAL . 1.1 tmtm? -62.68 -28.71 70.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 109.059 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -50.78 6.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -58.37 -29.77 66.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 10' ' ' LYS . 7.1 p -81.81 -34.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.527 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 56.5 t80 -68.11 -36.38 79.66 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -23.41 65.81 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 2.8 tppt? -68.34 -40.12 81.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.513 -0.742 . . . . 0.0 109.168 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 15' ' ' PHE . 20.5 pt -75.4 -28.37 20.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.606 -0.684 . . . . 0.0 109.24 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.15 -40.39 81.24 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -74.05 -22.79 59.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.361 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.579 ' O ' HG22 ' A' ' 4' ' ' VAL . 2.3 mptt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 47.0 t-105 -66.63 -12.6 58.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.404 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.67 -24.69 66.31 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.409 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 1' ' ' LYS . 10.0 m -64.0 -31.51 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.435 -0.79 . . . . 0.0 109.483 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.3 -28.58 65.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.443 -0.786 . . . . 0.0 109.48 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -38.0 72.46 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.324 -0.86 . . . . 0.0 108.864 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -69.29 -31.58 70.16 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.06 -33.29 35.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -47.76 71.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.554 0.692 . . . . 0.0 109.353 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 17.1 mmtt -73.96 -17.91 60.95 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.646 -0.659 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.05 -28.52 60.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.379 -0.826 . . . . 0.0 109.295 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -84.53 -56.08 3.8 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.372 -0.83 . . . . 0.0 109.309 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -58.5 -24.61 60.9 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.61 -0.681 . . . . 0.0 109.424 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.2 p -86.28 -33.42 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.364 -0.835 . . . . 0.0 109.175 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.784 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -66.99 -36.49 82.29 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.505 -0.747 . . . . 0.0 109.321 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.59 67.38 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.395 -0.815 . . . . 0.0 109.327 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -69.08 -38.97 79.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.405 -0.81 . . . . 0.0 109.527 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 15' ' ' PHE . 15.6 tt -75.4 -28.06 19.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 O-C-N 121.487 -0.758 . . . . 0.0 109.414 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 23' ' ' PRO . 44.8 tt0 -50.3 -44.3 54.0 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -73.33 -20.97 60.67 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.18 -7.55 32.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.503 -0.748 . . . . 0.0 109.18 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 154.41 89.27 0.07 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.683 ' O ' HG13 ' A' ' 27' ' ' VAL . 36.2 Cg_endo -79.46 45.21 1.88 Allowed 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.726 2.284 . . . . 0.0 110.461 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -68.93 -9.81 53.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.112 -0.992 . . . . 0.0 109.447 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -87.34 -4.8 59.06 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.0 109.634 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -122.0 -11.87 8.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 109.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 23' ' ' PRO . 22.3 m -67.2 -32.66 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 109.4 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -68.0 -27.41 66.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.494 -0.754 . . . . 0.0 109.435 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -78.13 -23.5 47.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.377 -0.827 . . . . 0.0 109.655 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -30.6 65.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.899 . . . . 0.0 109.717 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.579 HD12 ' N ' ' A' ' 32' ' ' GLU . 2.4 pp -67.58 -36.12 75.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.382 -0.824 . . . . 0.0 109.556 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' N ' HD12 ' A' ' 31' ' ' ILE . 2.2 tt0 -65.94 -28.78 69.17 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.399 -0.813 . . . . 0.0 109.553 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -89.22 83.91 6.5 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.403 -0.811 . . . . 0.0 109.477 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.856 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.1 mttp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.337 0.589 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -69.7 -14.86 63.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.298 -0.876 . . . . 0.0 109.485 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 6.6 tttp -67.05 -24.86 66.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 0.0 109.359 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -58.0 -31.56 41.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.446 -0.784 . . . . 0.0 109.519 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -28.75 66.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.463 -0.773 . . . . 0.0 109.495 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.5 mtmt -60.11 -36.6 77.81 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.557 -0.857 . . . . 0.0 108.803 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 7.2 mt -74.08 -33.41 35.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.65 -46.85 74.39 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.532 0.682 . . . . 0.0 109.295 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.606 ' O ' HG12 ' A' ' 14' ' ' VAL . 1.3 mttm -80.31 -17.89 50.76 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.656 -0.653 . . . . 0.0 109.351 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.526 ' C ' HG12 ' A' ' 14' ' ' VAL . 3.3 mtpt -64.97 -28.51 69.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.377 -0.827 . . . . 0.0 109.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -57.3 3.19 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.342 -0.849 . . . . 0.0 109.472 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -23.67 60.7 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.584 -0.698 . . . . 0.0 109.415 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 10' ' ' LYS . 9.8 p -86.11 -33.42 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.386 -0.821 . . . . 0.0 109.282 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.08 -36.61 82.36 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 0.0 109.424 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -62.96 -23.67 67.52 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.504 -0.747 . . . . 0.0 109.31 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -67.8 -35.59 78.9 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.43 -0.794 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 22' ' ' GLY . 18.7 mm -71.03 -37.83 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.479 -0.763 . . . . 0.0 109.509 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -40.82 40.28 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -70.89 -24.97 62.59 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -97.5 -7.88 30.47 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.541 -0.725 . . . . 0.0 109.195 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 85.88 159.4 32.15 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.88 2.09 8.24 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.667 2.244 . . . . 0.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.7 ' O ' HG12 ' A' ' 27' ' ' VAL . 6.0 ttmt -63.72 -12.15 32.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.208 -0.932 . . . . 0.0 109.454 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -85.23 -12.63 52.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.884 . . . . 0.0 109.45 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.78 -18.37 40.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.216 -0.927 . . . . 0.0 109.412 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.7 HG12 ' O ' ' A' ' 24' ' ' LYS . 8.0 p -79.14 -32.59 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 0.0 109.425 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.723 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -63.06 -27.57 69.49 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.536 -0.728 . . . . 0.0 109.493 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -77.99 -23.67 48.28 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.367 -0.833 . . . . 0.0 109.461 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -30.71 66.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.368 -0.833 . . . . 0.0 109.456 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.723 HG22 ' O ' ' A' ' 28' ' ' PHE . 1.1 tt -66.09 -36.44 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.395 -0.816 . . . . 0.0 109.456 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 31' ' ' ILE . 5.1 tt0 -63.16 -28.68 70.22 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.432 -0.793 . . . . 0.0 109.481 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -79.1 65.13 4.19 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.371 -0.83 . . . . 0.0 109.503 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.29 0.567 . . . . 0.0 109.519 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -69.86 -9.88 56.45 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.305 -0.872 . . . . 0.0 109.399 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -62.9 -24.55 67.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.282 -0.886 . . . . 0.0 109.519 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 85.5 t -54.74 -33.28 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.287 -0.883 . . . . 0.0 109.381 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -28.88 69.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.437 -0.789 . . . . 0.0 109.396 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.4 mttt -63.33 -34.53 77.9 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.68 -32.4 71.0 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -74.21 -33.58 35.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -66.64 -40.5 88.73 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.821 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.18 -18.59 38.82 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.527 -0.733 . . . . 0.0 109.307 179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -65.7 -28.45 69.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -82.05 -54.28 5.42 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.38 -0.825 . . . . 0.0 109.543 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -58.16 -28.24 64.55 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.494 -0.754 . . . . 0.0 109.534 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 10' ' ' LYS . 22.4 m -83.9 -32.84 8.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 O-C-N 121.433 -0.792 . . . . 0.0 108.919 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 7.1 t80 -63.32 -36.8 84.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.467 -0.77 . . . . 0.0 109.313 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -23.93 64.25 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.566 -0.709 . . . . 0.0 109.123 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.457 -0.777 . . . . 0.0 109.242 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' GLY . 30.6 mt -63.0 -38.57 82.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.444 -0.785 . . . . 0.0 109.455 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -49.86 -40.64 43.13 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -70.85 -25.09 62.67 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -97.64 -7.87 30.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.441 -0.787 . . . . 0.0 109.145 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -53.92 172.87 0.66 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.56 -7.96 16.95 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.543 2.162 . . . . 0.0 110.044 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.449 ' O ' HG12 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -65.65 -10.29 34.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.356 -0.84 . . . . 0.0 109.398 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -89.86 -13.7 35.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.879 . . . . 0.0 109.416 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.17 -10.24 14.31 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.316 -0.865 . . . . 0.0 109.383 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 24' ' ' LYS . 15.0 p -66.59 -32.86 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.325 -0.86 . . . . 0.0 109.412 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -76.1 -29.77 58.01 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.363 -0.836 . . . . 0.0 109.377 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -78.47 -23.96 46.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.377 -0.827 . . . . 0.0 109.406 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -30.62 67.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.437 -0.79 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.7 mt -68.76 -37.95 78.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 121.475 -0.766 . . . . 0.0 109.435 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -28.66 69.19 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.505 -0.747 . . . . 0.0 109.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.32 177.02 8.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.387 -0.82 . . . . 0.0 109.509 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.923 -1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.76 ' O ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.273 0.559 . . . . 0.0 109.545 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -55.42 -18.39 6.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.296 -0.878 . . . . 0.0 109.508 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -54.88 -51.0 67.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.882 . . . . 0.0 109.393 179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 1' ' ' LYS . 13.6 p -49.21 -31.67 4.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 O-C-N 121.633 -0.667 . . . . 0.0 109.483 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -58.96 -28.66 66.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.438 -0.789 . . . . 0.0 109.492 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -57.93 -37.39 74.01 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.636 -0.826 . . . . 0.0 108.973 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -69.27 -31.81 70.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.25 -33.29 34.09 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.95 -44.97 79.21 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.494 0.664 . . . . 0.0 109.45 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.565 ' O ' HG12 ' A' ' 14' ' ' VAL . 12.5 tttp -76.39 -19.13 58.44 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.643 -0.661 . . . . 0.0 109.508 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' C ' HG12 ' A' ' 14' ' ' VAL . 2.0 ttmt -71.04 -28.83 64.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.331 -0.856 . . . . 0.0 109.133 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.48 -52.32 5.42 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.68 -25.99 63.39 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.16 -33.48 7.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -67.81 -36.85 81.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.195 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -23.57 67.41 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.535 -0.728 . . . . 0.0 109.14 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 18.0 mttt -66.44 -44.47 82.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.423 -0.798 . . . . 0.0 109.344 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.616 HD12 ' HG3' ' A' ' 23' ' ' PRO . 16.3 pt -75.35 -26.7 18.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 O-C-N 121.496 -0.752 . . . . 0.0 109.446 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.54 -41.24 72.94 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 108.584 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -71.42 -24.24 62.0 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 22' ' ' GLY . . . -97.32 -7.99 30.74 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.467 -0.771 . . . . 0.0 109.094 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 45.83 94.53 0.01 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.616 ' HG3' HD12 ' A' ' 18' ' ' ILE . 35.5 Cg_endo -77.63 -6.36 16.11 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.501 2.134 . . . . 0.0 110.383 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -11.88 35.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 0.0 109.414 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -13.93 59.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.47 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.9 -13.72 11.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 109.373 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.6 -32.58 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.307 -0.87 . . . . 0.0 109.389 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -66.3 -27.56 68.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.513 -0.742 . . . . 0.0 109.519 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -77.6 -26.49 50.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.0 109.4 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -61.11 -30.64 70.48 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.4 -0.812 . . . . 0.0 109.236 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 mt -65.72 -36.76 78.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.467 -0.771 . . . . 0.0 109.399 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -68.75 -28.82 67.14 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.469 -0.769 . . . . 0.0 109.433 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.53 41.12 3.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.808 . . . . 0.0 109.488 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.554 ' HB3' HG23 ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -70.08 -13.26 62.13 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 109.481 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -24.88 65.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.23 -0.919 . . . . 0.0 109.392 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.554 HG23 ' HB3' ' A' ' 1' ' ' LYS . 45.7 t -59.46 -31.57 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.333 -0.854 . . . . 0.0 109.408 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -62.65 -28.47 69.94 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.472 -0.767 . . . . 0.0 109.583 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtt -56.85 -38.05 72.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.327 -0.858 . . . . 0.0 108.902 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 mttp -69.15 -31.65 70.46 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 mm -74.05 -33.23 35.27 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.26 -47.67 72.96 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.602 0.715 . . . . 0.0 109.326 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 8.5 mtpt -65.85 -22.0 66.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.549 -0.719 . . . . 0.0 109.196 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -77.09 -28.01 54.39 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.402 -0.811 . . . . 0.0 109.108 179.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -83.98 -56.62 3.58 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.529 -0.732 . . . . 0.0 109.573 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -58.42 -24.84 61.23 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.589 -0.694 . . . . 0.0 109.391 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -86.29 -33.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.5 0 O-C-N 121.333 -0.855 . . . . 0.0 109.152 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.63 -36.63 81.29 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.511 -0.743 . . . . 0.0 109.47 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -67.62 -30.01 69.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.418 -0.801 . . . . 0.0 109.351 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -70.34 -36.28 74.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.43 -0.794 . . . . 0.0 109.351 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' GLY . 12.1 mt -75.36 -37.68 38.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.505 -0.747 . . . . 0.0 109.618 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.58 -40.27 38.08 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.519 -0.872 . . . . 0.0 108.894 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -69.06 -27.04 65.27 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.459 -0.775 . . . . 0.0 109.0 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' O ' ' HD3' ' A' ' 23' ' ' PRO . . . -97.91 -8.0 29.04 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.466 -0.771 . . . . 0.0 109.262 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -73.04 114.2 4.66 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 36.4 Cg_endo -79.38 46.35 2.19 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.419 2.079 . . . . 0.0 110.251 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.56 ' HA ' HG12 ' A' ' 27' ' ' VAL . 2.5 ttmm -65.8 -9.96 33.27 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.238 -0.914 . . . . 0.0 109.492 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -12.84 50.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.267 -0.895 . . . . 0.0 109.386 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -120.69 -13.83 8.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.925 . . . . 0.0 109.427 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 24' ' ' LYS . 9.3 p -74.01 -32.48 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 0.0 109.506 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -61.44 -27.83 68.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.521 -0.737 . . . . 0.0 109.635 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -78.42 -23.33 46.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.349 -0.844 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HG3' ' HA ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -57.7 -30.46 65.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 109.765 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 HD12 ' N ' ' A' ' 32' ' ' GLU . 2.5 pp -68.46 -36.02 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.407 -0.808 . . . . 0.0 109.701 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' N ' HD12 ' A' ' 31' ' ' ILE . 6.3 tt0 -63.4 -28.5 70.03 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.317 -0.865 . . . . 0.0 109.442 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -70.82 76.72 0.62 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.491 -0.755 . . . . 0.0 109.495 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.828 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.539 ' O ' HG22 ' A' ' 4' ' ' VAL . 1.6 mmpt? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.02 -10.9 60.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.442 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -24.83 66.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.154 -0.966 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 1' ' ' LYS . 26.0 m -55.29 -31.67 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.404 -0.81 . . . . 0.0 109.396 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.69 -28.62 69.54 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.451 -0.78 . . . . 0.0 109.463 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -57.51 -37.36 72.86 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.028 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -69.18 -31.85 70.76 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 mt -74.4 -33.25 32.91 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.59 -42.94 86.2 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-O 121.59 0.709 . . . . 0.0 109.215 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -70.5 -21.91 62.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.551 -0.718 . . . . 0.0 109.311 179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.78 -28.29 58.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.334 -0.854 . . . . 0.0 109.058 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -85.11 -55.24 4.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.474 -0.767 . . . . 0.0 109.142 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -58.68 -25.63 63.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.562 -0.711 . . . . 0.0 109.342 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -84.79 -33.49 8.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.312 -0.868 . . . . 0.0 109.05 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.597 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -65.67 -36.73 84.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.536 -0.727 . . . . 0.0 109.294 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -63.71 -23.57 67.42 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.606 -0.684 . . . . 0.0 109.219 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -69.84 -47.31 63.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 109.239 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.2 tt -71.96 -26.78 25.9 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.6 -0.687 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.517 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -50.36 -44.12 54.49 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.522 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -72.61 -21.95 61.04 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.19 -7.53 32.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.512 -0.743 . . . . 0.0 109.236 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 178.76 69.49 0.06 OUTLIER Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.54 ' O ' HG13 ' A' ' 27' ' ' VAL . 35.6 Cg_endo -78.15 -14.11 15.17 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.628 2.219 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.545 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -65.3 -9.93 28.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.296 -0.878 . . . . 0.0 109.438 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -86.35 -9.19 56.86 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.179 -0.95 . . . . 0.0 109.491 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -120.38 -2.04 10.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.892 . . . . 0.0 109.557 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 24' ' ' LYS . 27.4 m -68.67 -32.82 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.122 -0.986 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' O ' HG12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -70.79 -27.67 64.08 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.453 -0.78 . . . . 0.0 109.546 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -75.48 -23.07 56.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.369 -0.832 . . . . 0.0 109.524 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -30.54 64.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.354 -0.841 . . . . 0.0 109.442 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 32' ' ' GLU . 4.8 pt -65.91 -41.83 90.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.306 -0.871 . . . . 0.0 108.835 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -69.71 -51.14 37.05 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER 40.11 30.43 0.07 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.879 -0.513 . . . . 0.0 109.835 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.883 ' O ' HG12 ' A' ' 4' ' ' VAL . 2.4 mmtt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.415 0.626 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -69.73 -12.65 61.8 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.357 -0.84 . . . . 0.0 109.453 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -66.18 -27.66 68.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.273 -0.892 . . . . 0.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 1' ' ' LYS . 7.2 p -59.9 -31.25 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.443 -0.786 . . . . 0.0 109.427 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -27.77 62.99 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.453 -0.779 . . . . 0.0 109.438 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -38.76 71.03 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 108.845 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -69.14 -31.47 70.17 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.6 mt -73.77 -32.98 36.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.9 -53.27 41.65 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.497 0.665 . . . . 0.0 109.571 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -20.14 64.2 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.415 -0.803 . . . . 0.0 109.074 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -76.34 -27.97 56.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.425 -0.797 . . . . 0.0 109.113 179.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -57.06 3.96 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.478 -0.764 . . . . 0.0 109.469 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HA ' ' HZ2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.72 -34.02 70.87 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.54 -0.725 . . . . 0.0 109.853 -179.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 11' ' ' LYS . 9.8 p -74.07 -33.0 34.48 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.073 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 18' ' ' ILE . 1.1 m-85 -65.99 -36.67 83.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.458 -0.776 . . . . 0.0 109.395 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -64.25 -23.91 67.48 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.45 -0.781 . . . . 0.0 109.418 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 14' ' ' VAL . 4.1 mmtm -70.31 -45.93 65.28 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.518 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' GLY . 3.9 pt -75.37 -27.25 19.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.436 -0.79 . . . . 0.0 109.723 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -58.1 -40.42 81.12 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -24.07 61.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.2 -7.61 31.96 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 50.36 -166.51 0.49 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.435 ' HB2' ' CE ' ' A' ' 26' ' ' LYS . 35.4 Cg_endo -77.97 3.77 6.72 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.643 2.229 . . . . 0.0 109.939 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.651 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -57.56 -16.28 9.66 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.391 -0.818 . . . . 0.0 109.54 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -80.83 6.08 14.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.265 -0.897 . . . . 0.0 109.549 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' CE ' ' HB2' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -87.57 -20.53 26.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 109.515 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 24' ' ' LYS . 3.9 m -79.05 -32.49 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.287 -0.883 . . . . 0.0 109.267 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -27.54 68.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.536 -0.728 . . . . 0.0 109.538 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -69.41 -24.05 63.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.386 -0.821 . . . . 0.0 109.607 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -58.4 -31.11 67.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.313 -0.867 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.3 mt -71.33 -37.19 64.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.414 -0.804 . . . . 0.0 109.258 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.52 -28.67 70.01 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.554 -0.716 . . . . 0.0 109.329 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -104.96 -71.89 0.73 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.459 -0.776 . . . . 0.0 109.357 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.878 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.624 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.296 0.57 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.497 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 11.4 t-105 -67.43 -11.41 57.73 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.369 -0.832 . . . . 0.0 109.393 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -55.99 -24.65 40.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.364 -0.835 . . . . 0.0 109.471 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 1' ' ' LYS . 9.2 m -55.28 -31.66 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.418 -0.802 . . . . 0.0 109.51 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.23 -28.65 69.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.351 -0.843 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -61.02 -35.0 75.72 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.304 -0.873 . . . . 0.0 109.047 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -69.16 -32.5 71.88 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.7 mm -74.77 -33.9 32.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.34 -37.71 83.72 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.533 0.682 . . . . 0.0 109.227 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.01 -19.68 34.09 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.625 -0.672 . . . . 0.0 109.443 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.566 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -67.06 -28.99 68.66 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -0.862 . . . . 0.0 109.212 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -79.29 -47.37 15.99 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.511 -0.743 . . . . 0.0 109.196 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -28.69 64.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 11' ' ' LYS . 8.2 p -86.47 -32.88 6.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.815 ' O ' HG22 ' A' ' 18' ' ' ILE . 22.0 t80 -59.55 -36.4 76.1 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.54 0.686 . . . . 0.0 109.185 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.69 -25.8 64.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.459 -0.775 . . . . 0.0 109.11 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -70.21 -35.87 74.2 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.431 -0.793 . . . . 0.0 109.575 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 15' ' ' PHE . 2.6 tt -73.56 -26.48 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.403 -0.81 . . . . 0.0 109.557 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -42.43 68.32 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.079 -1.013 . . . . 0.0 108.511 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -23.31 61.51 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.32 -7.55 31.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.514 -0.741 . . . . 0.0 109.194 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 93.05 113.67 2.22 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -77.69 -8.85 17.09 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.318 2.012 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -11.33 30.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.291 -0.881 . . . . 0.0 109.476 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -67.0 -12.14 59.01 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.213 -0.929 . . . . 0.0 109.43 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.67 -25.89 13.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.231 -0.918 . . . . 0.0 109.415 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 t -79.41 -32.58 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.419 -0.801 . . . . 0.0 109.424 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.86 -27.57 60.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.476 -0.765 . . . . 0.0 109.37 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -68.04 -24.81 65.13 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.844 . . . . 0.0 109.637 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -60.66 -30.62 70.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.374 -0.829 . . . . 0.0 109.229 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.8 mt -66.23 -36.9 78.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.553 -0.717 . . . . 0.0 109.46 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.5 -28.44 67.01 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.615 -0.678 . . . . 0.0 109.359 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -8.09 48.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.458 -0.776 . . . . 0.0 109.479 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.787 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.2 pttp . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.46 0.648 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.437 ' CD1' ' CD2' ' A' ' 5' ' ' PHE . 28.9 t90 -69.15 -5.86 25.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.443 -0.785 . . . . 0.0 109.703 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -65.35 -24.79 67.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 0.0 109.41 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.21 -31.53 54.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.399 -0.813 . . . . 0.0 109.297 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CD2' ' CD1' ' A' ' 2' ' ' TRP . 7.3 m-85 -59.66 -28.49 67.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.47 -0.769 . . . . 0.0 109.566 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -63.93 -32.95 74.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.165 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 4.6 tttt -70.03 -32.78 71.09 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.6 mm -74.79 -33.46 30.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.51 84.52 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.597 0.713 . . . . 0.0 109.322 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -18.04 43.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.461 -0.775 . . . . 0.0 109.619 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.51 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -71.78 -28.75 63.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.196 -0.94 . . . . 0.0 109.235 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -71.94 -48.17 47.16 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.414 -0.804 . . . . 0.0 109.134 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.77 -38.73 75.94 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.55 -0.718 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 11' ' ' LYS . 5.1 p -73.06 -33.6 43.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 1.026 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.0 m-30 -68.07 -36.38 79.76 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.534 -0.729 . . . . 0.0 109.277 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -23.5 65.67 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.551 -0.718 . . . . 0.0 109.385 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -35.5 79.75 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.423 -0.798 . . . . 0.0 109.573 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 1.026 HG22 ' O ' ' A' ' 15' ' ' PHE . 1.4 tt -73.98 -26.83 21.55 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.352 -0.842 . . . . 0.0 109.598 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -50.89 -45.19 60.08 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -19.45 59.84 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.18 -7.23 36.31 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.426 -0.796 . . . . 0.0 109.071 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -129.59 141.87 13.04 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.67 5.25 5.73 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.472 2.115 . . . . 0.0 110.349 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -15.58 19.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.916 . . . . 0.0 109.424 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.84 -11.41 58.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.336 -0.853 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -83.52 -13.69 53.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.0 109.683 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.95 -41.65 84.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.198 -0.939 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.686 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.24 -27.38 56.73 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.625 -0.672 . . . . 0.0 109.46 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -76.55 -23.01 53.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.387 -0.82 . . . . 0.0 109.506 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -57.17 -30.54 64.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.316 -0.865 . . . . 0.0 109.534 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 28' ' ' PHE . 8.7 tp -71.31 -36.73 62.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.33 -0.856 . . . . 0.0 109.486 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 31' ' ' ILE . 7.1 tp10 -69.36 -28.77 66.49 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.78 . . . . 0.0 109.611 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -98.27 131.41 44.62 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.446 -0.784 . . . . 0.0 109.482 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.893 ' O ' HG22 ' A' ' 4' ' ' VAL . 29.5 mtmm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.547 0.689 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -7.64 39.33 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.421 -0.799 . . . . 0.0 109.55 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -24.53 67.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.0 109.487 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.893 HG22 ' O ' ' A' ' 1' ' ' LYS . 11.2 m -66.04 -31.81 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.368 -0.832 . . . . 0.0 109.526 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.03 -28.59 69.9 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.426 -0.796 . . . . 0.0 109.437 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -36.68 73.91 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.012 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.26 -32.04 70.97 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 mt -74.44 -33.8 34.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.87 -41.4 87.34 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 121.612 0.72 . . . . 0.0 109.391 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -73.32 -20.62 60.75 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.6 -0.687 . . . . 0.0 109.351 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' C ' HG12 ' A' ' 14' ' ' VAL . 5.9 tttt -76.61 -28.34 56.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.415 -0.803 . . . . 0.0 109.149 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 -54.71 4.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.447 -0.783 . . . . 0.0 109.164 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -58.52 -33.45 69.87 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.574 -0.704 . . . . 0.0 109.218 179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 10' ' ' LYS . 9.9 p -75.9 -33.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.432 -0.792 . . . . 0.0 109.188 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -60.88 -36.97 80.59 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.558 -0.714 . . . . 0.0 109.401 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -70.65 -30.43 67.05 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -71.0 -45.15 64.49 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.596 -0.69 . . . . 0.0 109.465 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 tt -75.61 -27.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.481 -0.762 . . . . 0.0 109.704 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -51.37 -44.39 62.1 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 108.567 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.7 -20.99 60.38 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.659 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -97.4 -7.18 32.37 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.417 -0.802 . . . . 0.0 109.259 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 57.35 -174.21 2.05 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -77.37 2.47 7.68 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.503 2.136 . . . . 0.0 110.02 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.4 tttt -68.78 -9.88 53.49 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.29 -0.881 . . . . 0.0 109.538 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -15.91 35.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.262 -0.899 . . . . 0.0 109.526 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 -10.67 60.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.263 -0.898 . . . . 0.0 109.492 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 24' ' ' LYS . 6.1 m -74.5 -32.57 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.209 -0.932 . . . . 0.0 109.556 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -69.89 -28.96 66.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.819 . . . . 0.0 109.536 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.41 -26.99 46.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.34 -0.85 . . . . 0.0 109.184 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -30.69 71.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.35 -0.844 . . . . 0.0 109.113 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 31' ' ' ILE . 11.5 mt -64.36 -36.58 77.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.571 -0.706 . . . . 0.0 109.371 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.72 -28.62 66.0 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.601 -0.687 . . . . 0.0 109.387 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -80.83 -5.03 56.75 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.386 -0.821 . . . . 0.0 109.435 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.529 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 10.8 t-105 -65.52 -19.62 66.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.421 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 3.6 tptm -66.51 -27.6 67.9 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.411 -0.806 . . . . 0.0 109.176 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -59.82 -31.6 47.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.462 -0.774 . . . . 0.0 109.463 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.0 -29.97 70.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.0 109.603 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -61.49 -36.13 79.62 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 10.3 mttm -69.9 -31.66 69.57 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 mt -73.89 -33.25 36.43 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.3 -49.44 67.07 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.632 0.73 . . . . 0.0 109.106 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.42 -19.69 61.54 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.558 -0.714 . . . . 0.0 109.303 179.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 16.7 tttt -66.78 -31.6 72.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.133 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -69.55 -50.48 44.46 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.427 -0.795 . . . . 0.0 109.057 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.79 -23.18 51.18 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -85.06 -39.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 33.1 t80 -63.43 -36.3 83.28 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.583 0.706 . . . . 0.0 109.302 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.49 -25.06 68.08 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.442 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -70.44 -44.47 67.79 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.351 -0.843 . . . . 0.0 109.697 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' A' ' 22' ' ' GLY . 19.9 pt -66.62 -26.45 37.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.397 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.01 -42.37 69.01 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.184 -0.948 . . . . 0.0 108.487 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -23.35 61.36 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' O ' ' HD3' ' A' ' 23' ' ' PRO . . . -97.18 -7.5 32.29 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.51 -0.744 . . . . 0.0 109.19 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -112.76 92.36 0.63 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 35.8 Cg_endo -77.69 5.52 5.17 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.568 2.179 . . . . 0.0 110.539 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -17.76 6.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 0.0 109.533 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.75 -11.86 60.8 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.322 -0.861 . . . . 0.0 109.678 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -80.72 0.62 33.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.175 -0.953 . . . . 0.0 109.649 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.98 -32.48 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.205 -0.935 . . . . 0.0 109.513 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -62.3 -27.84 69.32 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.419 -0.801 . . . . 0.0 109.486 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -23.75 59.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.363 -0.836 . . . . 0.0 109.243 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -60.43 -30.62 69.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.37 -0.831 . . . . 0.0 109.343 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 mt -67.16 -36.74 77.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.508 -0.745 . . . . 0.0 109.456 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.45 -28.59 69.39 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.525 -0.735 . . . . 0.0 109.588 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -98.25 91.08 5.07 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.321 -0.862 . . . . 0.0 109.604 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' ' 4' ' ' VAL . 27.2 mtmt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.379 0.609 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -66.33 -10.96 48.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.309 -0.869 . . . . 0.0 109.479 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -55.35 -24.95 31.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.0 109.502 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 1' ' ' LYS . 37.4 t -50.55 -32.59 10.43 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.318 -0.864 . . . . 0.0 109.373 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -28.56 69.76 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.525 -0.734 . . . . 0.0 109.503 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -35.96 78.25 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 108.854 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -31.91 70.06 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 39.6 mt -74.38 -33.34 33.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.55 -46.99 74.25 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.559 0.695 . . . . 0.0 109.688 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.63 -23.27 62.51 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.405 -0.81 . . . . 0.0 109.294 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -75.59 -28.25 58.85 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.129 179.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -80.35 -49.49 11.44 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.492 -0.755 . . . . 0.0 109.163 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.31 -38.4 77.02 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.485 HG12 ' C ' ' A' ' 11' ' ' LYS . 10.3 p -72.39 -33.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.931 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.3 t80 -66.72 -36.66 83.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.553 -0.717 . . . . 0.0 109.195 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 ttpp -59.47 -23.7 62.95 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.405 -0.809 . . . . 0.0 109.381 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -70.03 -35.65 74.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.819 . . . . 0.0 109.5 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.975 HD11 ' HB2' ' A' ' 25' ' ' TRP . 15.9 tt -72.77 -26.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.406 -0.809 . . . . 0.0 109.679 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -44.4 65.15 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -20.21 58.43 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 18' ' ' ILE . . . -92.89 -7.75 45.3 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.503 -0.748 . . . . 0.0 109.108 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 86.09 160.22 33.6 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -80.05 13.64 2.13 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.875 2.383 . . . . 0.0 110.713 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 24' ' ' LYS . 25.0 tttt -53.79 -19.1 3.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.154 -0.966 . . . . 0.0 109.6 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.975 ' HB2' HD11 ' A' ' 18' ' ' ILE . 1.3 t-105 -68.34 -7.03 27.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -0.899 . . . . 0.0 109.454 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 1.25 4.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.569 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.6 t -79.01 -32.57 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.175 -0.953 . . . . 0.0 109.562 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 9.6 p90 -65.39 -27.86 68.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.82 . . . . 0.0 109.596 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -60.24 -27.17 66.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.358 -0.839 . . . . 0.0 109.519 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -31.48 67.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.5 -0.75 . . . . 0.0 109.213 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 mt -71.49 -36.86 62.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 CA-C-O 121.569 0.699 . . . . 0.0 109.492 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.03 -28.76 68.49 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.567 -0.708 . . . . 0.0 109.674 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -94.49 -43.13 8.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.365 -0.835 . . . . 0.0 109.522 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.461 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -67.83 -22.71 65.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.461 ' HG2' ' HB3' ' A' ' 1' ' ' LYS . 4.7 ptmt -67.13 -25.1 66.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.0 109.418 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 5.3 t -64.14 -31.26 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.398 -0.813 . . . . 0.0 109.313 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -62.14 -28.72 69.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.501 -0.749 . . . . 0.0 109.446 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -35.73 77.78 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 108.863 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -69.36 -32.05 70.86 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.21 -33.49 34.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.65 -43.64 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.546 0.688 . . . . 0.0 109.52 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -78.42 -24.27 46.26 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.479 -0.763 . . . . 0.0 109.573 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -74.99 -27.62 60.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.412 -0.805 . . . . 0.0 109.228 179.72 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -79.5 -49.81 11.7 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.384 -0.822 . . . . 0.0 109.468 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' O ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -57.71 -39.08 76.41 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.433 -0.792 . . . . 0.0 109.037 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 10' ' ' LYS . 12.3 p -74.43 -32.61 31.07 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' HA ' HG22 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -62.39 -36.94 83.86 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.55 -0.719 . . . . 0.0 109.32 179.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -60.57 -33.49 72.79 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.564 -0.71 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -47.47 60.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.19 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 22' ' ' GLY . 5.6 tp -75.44 -26.45 18.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.619 -0.676 . . . . 0.0 109.459 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -54.54 -42.05 70.47 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.222 -0.924 . . . . 0.0 108.607 179.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -23.51 61.41 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.24 -7.58 31.93 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.454 -0.779 . . . . 0.0 109.144 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -121.5 158.18 16.27 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.22 -1.31 11.49 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.687 2.258 . . . . 0.0 110.363 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -66.77 -10.26 45.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.262 -0.898 . . . . 0.0 109.609 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.429 ' CE3' ' O ' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -63.1 -25.22 68.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 0.0 109.361 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -104.97 -16.98 14.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.421 -0.8 . . . . 0.0 109.059 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 59.2 t -73.45 -32.55 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.413 -0.805 . . . . 0.0 109.353 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.38 -27.69 68.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.481 -0.762 . . . . 0.0 109.448 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -24.7 67.96 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.427 -0.796 . . . . 0.0 109.501 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -59.28 -30.45 68.31 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.318 -0.864 . . . . 0.0 109.311 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 56.9 mt -66.44 -38.76 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.516 -0.74 . . . . 0.0 109.453 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -28.54 67.44 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.511 -0.743 . . . . 0.0 109.451 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.34 133.55 35.35 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.417 -0.802 . . . . 0.0 109.407 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.413 0.625 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -18.66 63.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.388 -0.82 . . . . 0.0 109.574 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -67.27 -24.74 65.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.265 -0.897 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.2 -31.53 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.494 -0.754 . . . . 0.0 109.528 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -29.04 69.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.375 -0.828 . . . . 0.0 109.513 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -66.1 -33.71 76.39 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.257 -0.902 . . . . 0.0 108.718 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -70.15 -32.52 70.54 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -74.46 -32.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.36 -47.49 76.24 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.495 0.664 . . . . 0.0 109.612 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -75.59 -23.64 56.49 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.4 -0.812 . . . . 0.0 109.39 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' C ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.38 -27.87 59.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.392 -0.817 . . . . 0.0 109.115 179.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.435 ' CE3' ' HA ' ' A' ' 12' ' ' TRP . 4.9 m95 -78.63 -50.03 12.19 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 109.413 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -30.05 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.564 -0.71 . . . . 0.0 109.172 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG12 ' C ' ' A' ' 11' ' ' LYS . 10.9 p -83.09 -33.04 9.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.498 ' O ' HG22 ' A' ' 18' ' ' ILE . 1.2 t80 -62.8 -36.48 83.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.595 -0.69 . . . . 0.0 109.348 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -31.34 72.36 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.453 -0.779 . . . . 0.0 109.232 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.506 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -70.17 -45.23 67.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.547 -0.721 . . . . 0.0 109.219 179.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -75.21 -27.82 19.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.544 -0.723 . . . . 0.0 109.516 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -41.98 71.99 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -74.33 -21.73 59.57 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.24 -7.49 35.41 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -118.33 86.89 0.41 Allowed Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 36.3 Cg_endo -79.17 44.63 1.73 Allowed 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.795 2.33 . . . . 0.0 110.535 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -70.61 -11.2 60.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.138 -0.976 . . . . 0.0 109.212 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -13.62 62.23 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.288 -0.882 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 23' ' ' PRO . 11.5 pttm -82.92 -15.54 50.96 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.18 -0.95 . . . . 0.0 109.173 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.8 t -76.89 -32.59 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.853 . . . . 0.0 109.154 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -71.54 -31.49 67.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.41 -0.807 . . . . 0.0 109.116 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -33.35 51.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.523 -0.735 . . . . 0.0 109.193 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -30.85 67.43 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.526 -0.733 . . . . 0.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 31' ' ' ILE . 22.4 mm -71.01 -37.57 68.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.515 -0.741 . . . . 0.0 109.216 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.24 -28.77 66.63 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.57 -0.706 . . . . 0.0 109.4 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -76.59 -67.15 0.72 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.405 -0.81 . . . . 0.0 109.415 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.543 ' O ' HG13 ' A' ' 4' ' ' VAL . 3.4 pttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -65.17 -10.93 35.21 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 109.322 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -62.29 -24.48 67.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.905 . . . . 0.0 109.137 179.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 1' ' ' LYS . 33.3 m -47.52 -34.89 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.581 -0.699 . . . . 0.0 109.386 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.405 ' N ' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -65.49 -28.8 69.46 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.223 179.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -33.67 76.08 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 21.6 mttt -70.19 -32.18 69.99 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 mm -74.02 -33.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.47 -44.77 81.83 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.568 0.699 . . . . 0.0 109.297 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.3 mmtt -79.69 -17.62 53.21 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.613 -0.679 . . . . 0.0 109.307 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -69.15 -28.75 66.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.412 -0.805 . . . . 0.0 109.417 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -57.19 4.09 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.491 -0.756 . . . . 0.0 109.427 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -20.59 39.26 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 10' ' ' LYS . 40.4 t -84.88 -39.18 13.97 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 CA-C-O 121.724 0.773 . . . . 0.0 108.982 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -36.76 80.91 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -67.25 -24.78 65.84 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.537 -0.727 . . . . 0.0 109.224 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -70.27 -37.35 74.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.363 -0.836 . . . . 0.0 109.367 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 22' ' ' GLY . 15.2 mt -64.19 -43.48 97.34 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.608 -0.682 . . . . 0.0 109.374 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.91 -39.68 40.74 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -71.82 -24.53 61.73 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -97.27 -7.74 31.44 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.543 -0.723 . . . . 0.0 109.144 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 92.94 144.85 15.45 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 35.8 Cg_endo -78.98 5.49 5.67 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.672 2.248 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -59.44 -14.14 11.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 109.879 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -14.1 11.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.592 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 23' ' ' PRO . 13.7 pttm -94.7 17.16 13.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.174 -0.954 . . . . 0.0 109.598 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 p -77.18 -32.6 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.596 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.889 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -73.79 -27.66 61.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.424 -0.798 . . . . 0.0 109.544 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -78.67 -23.71 45.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.449 -0.782 . . . . 0.0 109.725 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -30.7 69.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.369 -0.832 . . . . 0.0 109.965 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.889 HG22 ' O ' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -66.13 -35.7 75.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.272 -0.892 . . . . 0.0 109.486 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -58.35 -28.63 65.28 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.373 -0.829 . . . . 0.0 109.686 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -105.47 78.08 1.34 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.389 -0.819 . . . . 0.0 109.463 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.48 ' O ' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.352 0.596 . . . . 0.0 109.54 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -69.5 -11.23 60.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.341 -0.85 . . . . 0.0 109.503 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -60.32 -24.86 65.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.154 -0.966 . . . . 0.0 109.306 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 1' ' ' LYS . 11.4 m -55.28 -31.42 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.382 -0.824 . . . . 0.0 109.478 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -59.95 -28.47 67.66 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.413 -0.804 . . . . 0.0 109.521 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.1 tmtm? -56.95 -37.69 71.89 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.263 -0.898 . . . . 0.0 109.136 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.3 mttm -69.04 -31.61 70.52 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mm -74.84 -33.62 30.98 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.48 -52.46 64.42 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.4 0.619 . . . . 0.0 109.437 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -61.9 -25.28 67.47 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.518 -0.739 . . . . 0.0 109.075 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -75.61 -28.01 58.7 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.472 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -81.05 -51.85 8.04 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.585 -0.697 . . . . 0.0 109.235 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -29.7 66.09 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.602 -0.686 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 11' ' ' LYS . 8.9 p -82.69 -33.04 10.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.347 -0.846 . . . . 0.0 108.838 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.683 ' CE1' HD11 ' A' ' 18' ' ' ILE . 38.1 t80 -64.63 -36.67 84.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.603 0.716 . . . . 0.0 109.219 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -23.61 67.4 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.414 -0.804 . . . . 0.0 109.141 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -66.98 -39.62 87.21 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.48 -0.762 . . . . 0.0 109.488 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.683 HD11 ' CE1' ' A' ' 15' ' ' PHE . 2.0 pt -75.11 -26.64 19.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.436 -0.79 . . . . 0.0 109.347 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' N ' HG13 ' A' ' 18' ' ' ILE . 6.8 tp10 -53.51 -42.65 67.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -22.29 60.79 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 22' ' ' GLY . . . -97.0 -7.58 32.63 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.463 -0.773 . . . . 0.0 109.154 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 49.67 -177.63 0.03 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -78.18 4.9 5.82 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.666 2.244 . . . . 0.0 110.238 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 5.3 tptp -61.11 -13.22 15.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.308 -0.87 . . . . 0.0 109.516 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.555 ' CE3' ' O ' ' A' ' 25' ' ' TRP . 3.8 t90 -57.72 -18.21 19.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 0.0 109.521 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -66.65 -24.59 66.31 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.327 -0.858 . . . . 0.0 109.393 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 t -79.36 -32.16 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.333 -0.855 . . . . 0.0 109.417 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CD2' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -57.93 -27.67 63.58 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.505 -0.747 . . . . 0.0 109.724 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' ' 26' ' ' LYS . 1.2 pttt -57.95 -29.21 65.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.333 -0.854 . . . . 0.0 109.56 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -60.55 -30.62 69.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 0.0 109.298 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.452 HD12 ' CD2' ' A' ' 28' ' ' PHE . 33.3 mt -64.7 -38.49 82.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.433 -0.792 . . . . 0.0 109.197 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.14 -28.66 66.65 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.602 -0.686 . . . . 0.0 109.428 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.47 119.31 27.62 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.467 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.481 ' HB3' ' HG2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -64.17 -11.11 27.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.382 -0.824 . . . . 0.0 109.554 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -53.27 -24.49 11.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.193 -0.942 . . . . 0.0 109.448 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.5 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 54.0 t -50.09 -31.65 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.389 -0.819 . . . . 0.0 109.364 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.4 -28.59 65.34 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.559 -0.713 . . . . 0.0 109.364 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.83 -35.43 78.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.362 -0.836 . . . . 0.0 108.879 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -32.15 70.66 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.9 mt -74.19 -33.74 35.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -67.02 -40.86 87.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -67.93 -27.66 66.82 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -71.86 -29.02 63.93 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -57.42 4.42 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.89 63.34 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 10' ' ' LYS . 39.4 t -74.56 -41.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 1.2 t80 -65.03 -36.3 83.94 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.628 0.728 . . . . 0.0 109.076 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -23.4 67.36 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.61 -0.682 . . . . 0.0 109.502 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -70.14 -34.97 73.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 0.0 109.613 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' GLY . 2.0 pt -75.49 -26.65 18.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.577 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.51 ' N ' HG13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.1 -44.74 64.55 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.177 -0.952 . . . . 0.0 108.655 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 17' ' ' LYS . 8.3 ptmt -76.0 -19.19 58.89 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' HD3' ' A' ' 23' ' ' PRO . . . -96.7 -6.08 37.27 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.443 -0.786 . . . . 0.0 108.996 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -132.82 65.52 0.59 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 22' ' ' GLY . 35.9 Cg_endo -78.29 6.73 4.52 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.683 2.255 . . . . 0.0 110.476 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -53.98 -19.44 4.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.162 -0.961 . . . . 0.0 109.409 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -92.28 -8.68 44.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.38 -0.825 . . . . 0.0 109.415 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HG2' ' HB2' ' A' ' 29' ' ' LYS . 2.3 tttp -108.47 0.28 20.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -57.64 -32.89 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.157 -0.964 . . . . 0.0 109.349 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.56 -27.63 58.68 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.469 -0.77 . . . . 0.0 109.21 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HB2' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.11 -23.39 66.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.501 -0.75 . . . . 0.0 109.413 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -30.57 65.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.408 -0.807 . . . . 0.0 109.465 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.3 mt -65.93 -40.39 87.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 O-C-N 121.442 -0.786 . . . . 0.0 109.259 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -69.26 -28.62 66.47 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.557 -0.714 . . . . 0.0 109.404 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -84.52 -90.86 0.09 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.392 -0.817 . . . . 0.0 109.469 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.8 t90 56.95 -84.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.339 -0.851 . . . . 0.0 109.424 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 1' ' ' LYS . 7.6 pttm -56.69 -24.51 49.6 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.573 -0.704 . . . . 0.0 109.331 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.472 ' HB ' ' N ' ' A' ' 1' ' ' LYS . 54.5 t -65.25 -31.76 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 109.506 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.16 -28.25 69.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.496 -0.753 . . . . 0.0 109.498 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 2.7 mmtp -56.71 -34.96 67.97 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.379 -0.826 . . . . 0.0 109.105 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -69.32 -32.58 71.78 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -74.97 -33.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.02 -35.87 80.86 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.576 0.703 . . . . 0.0 109.158 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.887 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -74.07 -27.21 60.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.628 -0.67 . . . . 0.0 109.585 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' C ' HG22 ' A' ' 14' ' ' VAL . 20.0 tttp -71.51 -28.67 64.06 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.371 -0.83 . . . . 0.0 109.044 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -72.57 -54.84 8.03 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.435 -0.79 . . . . 0.0 109.369 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.16 -48.0 81.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.581 -0.7 . . . . 0.0 109.693 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.887 HG13 ' O ' ' A' ' 10' ' ' LYS . 14.6 m -58.99 -33.31 49.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 109.088 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.739 ' O ' HG22 ' A' ' 18' ' ' ILE . 64.8 t80 -66.14 -36.65 83.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.458 -0.776 . . . . 0.0 109.237 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -67.98 -23.47 65.04 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.563 -0.711 . . . . 0.0 109.159 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -70.02 -39.16 75.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.383 -0.823 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 15' ' ' PHE . 7.9 tt -75.65 -26.92 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.492 -0.755 . . . . 0.0 109.705 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.49 -40.95 79.75 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.224 -0.922 . . . . 0.0 108.698 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -23.85 61.08 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' O ' ' HD3' ' A' ' 23' ' ' PRO . . . -97.51 -7.41 31.48 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 109.136 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -114.77 83.78 0.34 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 35.3 Cg_endo -77.89 -9.92 16.83 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.594 2.196 . . . . 0.0 110.333 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' O ' HG12 ' A' ' 27' ' ' VAL . 5.9 mttp -65.08 -10.62 31.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 109.386 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -11.89 54.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 0.0 109.397 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 -10.8 14.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.362 -0.836 . . . . 0.0 109.379 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 24' ' ' LYS . 9.0 p -61.59 -32.67 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.192 -0.942 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.751 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.6 m-85 -59.54 -30.55 68.69 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.402 -0.812 . . . . 0.0 109.414 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -23.28 46.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.475 -0.765 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -57.68 -31.92 66.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.37 -0.831 . . . . 0.0 109.855 -179.417 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -71.29 -36.11 60.41 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 O-C-N 121.292 -0.88 . . . . 0.0 109.468 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 31' ' ' ILE . 1.9 tt0 -68.81 -28.64 66.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.455 -0.778 . . . . 0.0 109.548 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 63.31 3.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.355 -0.841 . . . . 0.0 109.399 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -62.92 -14.0 41.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.918 . . . . 0.0 109.292 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' HA ' ' HG3' ' A' ' 6' ' ' LYS . 22.4 ttpt -62.15 -25.03 67.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.307 -0.871 . . . . 0.0 109.214 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.71 -31.85 53.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.35 -0.844 . . . . 0.0 109.3 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -63.76 -28.74 70.09 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.442 -0.786 . . . . 0.0 109.237 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HG3' ' HA ' ' A' ' 3' ' ' LYS . 6.6 mttp -62.77 -35.58 80.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 7' ' ' LYS . 7.1 mmtm -69.56 -31.88 70.34 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 8' ' ' ILE . 21.3 mt -73.67 -33.57 38.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.61 -44.56 81.76 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.613 0.72 . . . . 0.0 109.172 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.494 -0.753 . . . . 0.0 109.093 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -76.38 -28.07 56.63 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.552 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -48.73 30.6 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.514 -0.741 . . . . 0.0 109.371 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -32.95 68.22 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.576 -0.703 . . . . 0.0 109.175 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 27.6 m -81.05 -33.04 12.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -36.61 84.6 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.529 -0.732 . . . . 0.0 109.196 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -67.78 -27.59 66.88 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 109.007 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.46 73.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.493 -0.754 . . . . 0.0 109.031 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' GLY . 28.9 mt -67.72 -37.98 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.557 -0.714 . . . . 0.0 109.376 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.01 -40.54 58.42 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -24.18 61.41 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.99 -7.59 32.65 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.474 -0.766 . . . . 0.0 108.956 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -116.26 101.2 0.97 Allowed Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.53 7.4 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.476 2.117 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HA ' HG23 ' A' ' 27' ' ' VAL . 5.1 tttt -57.24 -16.89 9.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.967 . . . . 0.0 109.286 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -60.06 -26.77 66.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.312 -0.867 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -83.54 -17.28 42.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.343 -0.848 . . . . 0.0 109.06 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.588 HG12 ' NZ ' ' A' ' 30' ' ' LYS . 5.9 t -79.23 -32.49 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.518 -0.738 . . . . 0.0 109.298 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.668 ' O ' HG22 ' A' ' 31' ' ' ILE . 11.1 m-85 -60.89 -27.48 68.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.48 -0.763 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -57.54 -23.36 50.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.326 -0.859 . . . . 0.0 109.39 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.588 ' NZ ' HG12 ' A' ' 27' ' ' VAL . 14.1 pttt -57.77 -31.14 66.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.309 -0.869 . . . . 0.0 109.654 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.668 HG22 ' O ' ' A' ' 28' ' ' PHE . 1.9 tt -71.4 -36.64 61.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 O-C-N 121.43 -0.794 . . . . 0.0 109.672 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -28.77 67.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.392 -0.818 . . . . 0.0 109.374 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -103.18 -44.56 5.16 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.54 -0.725 . . . . 0.0 109.252 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.279 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.782 ' O ' HG22 ' A' ' 4' ' ' VAL . 5.5 mtpt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -68.84 -6.61 27.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.167 -0.958 . . . . 0.0 109.61 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -24.77 67.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.225 -0.922 . . . . 0.0 108.974 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 1' ' ' LYS . 16.8 m -59.1 -31.44 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.572 -0.705 . . . . 0.0 109.244 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -57.47 -27.81 62.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 0.0 109.355 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -37.64 71.12 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.335 -0.853 . . . . 0.0 109.191 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -68.86 -31.9 71.19 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 mt -74.38 -33.45 33.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -66.69 -42.33 86.65 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.644 0.735 . . . . 0.0 109.077 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 14' ' ' VAL . 19.2 pttt -81.14 -23.05 38.57 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.577 -0.702 . . . . 0.0 109.434 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' C ' HG12 ' A' ' 14' ' ' VAL . 1.1 tmtm? -62.68 -28.71 70.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 109.059 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -50.78 6.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -58.37 -29.77 66.27 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 10' ' ' LYS . 7.1 p -81.81 -34.18 12.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.527 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 56.5 t80 -68.11 -36.38 79.66 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.723 -0.844 . . . . 0.0 108.723 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -23.41 65.81 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 17' ' ' LYS . 2.8 tppt? -68.34 -40.12 81.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.513 -0.742 . . . . 0.0 109.168 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 15' ' ' PHE . 20.5 pt -75.4 -28.37 20.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.606 -0.684 . . . . 0.0 109.24 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.15 -40.39 81.24 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -74.05 -22.79 59.41 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.25 -7.35 35.76 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . 103.21 157.53 25.05 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -78.28 -9.6 16.36 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.759 2.306 . . . . 0.0 110.368 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -17.24 9.53 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -0.94 . . . . 0.0 109.328 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -90.89 -5.77 55.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.322 -0.861 . . . . 0.0 109.455 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -13.22 11.21 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.283 -0.886 . . . . 0.0 109.245 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.79 -32.67 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.3 -34.64 70.79 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.502 -0.749 . . . . 0.0 109.416 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -78.26 -30.67 48.69 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.513 -0.742 . . . . 0.0 109.302 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -30.56 70.62 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.492 -0.755 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 31' ' ' ILE . 24.1 mm -64.29 -36.95 78.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.526 -0.734 . . . . 0.0 109.401 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -69.09 -28.83 66.85 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.492 -0.755 . . . . 0.0 109.528 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -105.55 59.05 0.67 Allowed 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.424 -0.798 . . . . 0.0 109.519 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.797 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_