data_1btr_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 1btr _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.24 -39.35 82.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.566 -0.709 . . . . 0.0 109.691 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.79 76.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.494 -0.754 . . . . 0.0 109.681 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.13 67.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.737 -0.602 . . . . 0.0 110.528 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 t -54.11 -41.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.632 -0.667 . . . . 0.0 110.694 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 7' ' ' ILE . 50.5 mm -67.0 -31.81 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.374 -0.829 . . . . 0.0 109.535 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.94 89.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.495 -0.753 . . . . 0.0 109.721 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.4 mt -72.19 -30.04 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.51 -0.744 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.1 -42.7 99.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.11 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.58 -39.22 77.44 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.82 69.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.787 -0.571 . . . . 0.0 109.819 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.677 . . . . 0.0 110.222 -179.625 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.75 -31.94 72.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.62 69.38 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.66 -0.65 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -50.24 69.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.644 -0.66 . . . . 0.0 110.687 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 t -53.61 -51.25 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.465 -0.772 . . . . 0.0 110.613 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 mt -61.09 -28.17 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.427 -0.795 . . . . 0.0 109.734 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -38.71 85.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.53 -0.731 . . . . 0.0 109.605 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mt -68.45 -32.96 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.602 -0.686 . . . . 0.0 109.421 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -62.93 -40.46 97.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.488 -0.757 . . . . 0.0 109.209 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.51 -34.57 72.46 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.71 -34.9 69.94 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.725 -0.609 . . . . 0.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.577 -0.702 . . . . 0.0 109.347 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -30.84 65.41 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.518 -0.739 . . . . 0.0 109.925 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.76 72.35 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.434 -0.791 . . . . 0.0 109.469 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.61 73.27 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.721 -0.612 . . . . 0.0 110.198 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.22 -44.59 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.71 -0.619 . . . . 0.0 110.468 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.473 HG22 HD11 ' A' ' 7' ' ' ILE . 47.8 mm -64.14 -34.28 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.497 -0.752 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -38.99 87.65 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.472 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -69.3 -31.32 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -43.53 98.43 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -65.76 -39.09 90.71 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.9 70.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.759 -0.588 . . . . 0.0 109.635 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.647 -0.658 . . . . 0.0 109.588 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -34.0 77.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.54 -0.725 . . . . 0.0 109.083 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.51 74.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.581 -0.7 . . . . 0.0 109.477 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.07 -48.21 64.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.735 -0.603 . . . . 0.0 110.632 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -54.95 -46.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 0.0 110.41 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.98 -28.24 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.396 -0.815 . . . . 0.0 109.455 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.07 -41.68 90.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.573 -0.705 . . . . 0.0 109.363 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.29 -30.56 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.28 -52.1 63.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.525 -0.734 . . . . 0.0 109.539 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.86 -33.62 76.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.619 -0.676 . . . . 0.0 109.206 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.53 -24.24 67.07 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.786 -0.571 . . . . 0.0 109.935 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 0.0 109.721 -179.856 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 t . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -31.37 72.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.565 -0.71 . . . . 0.0 109.288 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.61 71.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.611 -0.681 . . . . 0.0 109.692 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.52 -48.88 71.41 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.697 -0.627 . . . . 0.0 110.605 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.69 -54.17 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.506 -0.747 . . . . 0.0 110.523 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm -61.29 -26.85 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.411 -0.806 . . . . 0.0 109.78 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -41.58 91.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.3 mt -67.66 -31.84 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.86 -49.54 74.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.582 -0.699 . . . . 0.0 109.405 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -33.63 76.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.67 -0.643 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.13 91.29 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.699 . . . . 0.0 109.884 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.544 -0.723 . . . . 0.0 109.549 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.492 1.675 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.84 -30.51 71.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.505 -0.747 . . . . 0.0 109.603 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.52 -52.13 66.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.475 -0.766 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.73 73.94 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.307 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -54.53 -41.3 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.683 -0.635 . . . . 0.0 110.63 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -70.56 -29.16 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 109.464 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.33 -43.4 86.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.55 -29.16 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.737 . . . . 0.0 109.569 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -44.68 92.51 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.557 -0.714 . . . . 0.0 109.121 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.66 -36.58 84.09 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.86 80.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.718 -0.613 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.537 -0.727 . . . . 0.0 110.053 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.41 -35.5 77.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.519 -0.738 . . . . 0.0 109.712 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -51.18 69.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.9 74.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.719 -0.613 . . . . 0.0 110.454 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.37 -29.69 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.595 -0.691 . . . . 0.0 110.727 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.34 -34.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.34 -0.85 . . . . 0.0 109.425 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.78 -36.64 80.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -79.23 -32.85 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.437 -0.79 . . . . 0.0 109.603 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.52 -43.5 96.99 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -34.38 77.77 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.15 89.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.655 -0.653 . . . . 0.0 109.723 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.583 -0.698 . . . . 0.0 110.449 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.97 -33.39 75.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.583 -0.698 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.98 71.83 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.474 -0.766 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.31 67.92 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.628 -0.67 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.9 t -52.63 -39.84 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.717 -0.614 . . . . 0.0 110.457 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -64.62 -37.63 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.376 -0.828 . . . . 0.0 109.268 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.02 -39.26 89.08 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.548 -0.72 . . . . 0.0 109.278 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.9 mt -70.56 -30.1 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -63.26 -37.12 86.02 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -35.06 64.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.73 89.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.738 -0.601 . . . . 0.0 109.726 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.548 -0.72 . . . . 0.0 109.802 179.729 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -28.62 62.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.565 -0.71 . . . . 0.0 109.511 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.16 -52.13 65.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.552 -0.717 . . . . 0.0 109.627 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.11 77.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.693 -0.63 . . . . 0.0 110.32 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.46 -44.43 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.604 -0.685 . . . . 0.0 110.767 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.1 -29.69 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.418 -0.802 . . . . 0.0 109.676 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.95 -35.93 81.96 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.595 -0.691 . . . . 0.0 109.414 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mt -79.08 -28.43 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 109.56 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -39.08 85.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.492 -0.755 . . . . 0.0 109.409 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.43 -35.14 35.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.6 -0.687 . . . . 0.0 109.589 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.15 85.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.687 -0.633 . . . . 0.0 109.934 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.775 0 O-C-N 121.561 -0.712 . . . . 0.0 110.081 -179.333 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -39.25 93.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.571 -0.706 . . . . 0.0 109.371 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.21 -50.29 73.71 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.617 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.8 -50.31 61.02 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.663 -0.648 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.36 -34.55 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.613 -0.679 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.8 mt -71.0 -32.2 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.42 -0.8 . . . . 0.0 109.672 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.18 -38.85 78.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.495 -0.753 . . . . 0.0 109.545 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 9' ' ' ILE . 57.4 mt -74.46 -27.7 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 109.699 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -67.01 -46.91 73.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 109.042 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.18 -35.24 79.65 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.72 31.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.756 -0.59 . . . . 0.0 109.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.576 -0.702 . . . . 0.0 110.999 -179.585 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.22 -29.01 70.09 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.636 -0.665 . . . . 0.0 109.627 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.73 69.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.474 -0.766 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.98 73.94 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.666 -0.646 . . . . 0.0 110.442 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.1 t -52.39 -52.24 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.548 -0.72 . . . . 0.0 110.736 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.408 HG21 HD11 ' A' ' 7' ' ' ILE . 50.0 mm -62.45 -27.94 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.479 -0.763 . . . . 0.0 109.613 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -64.1 -44.42 92.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.483 -0.761 . . . . 0.0 109.692 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.453 HD11 HG22 ' A' ' 9' ' ' ILE . 43.5 mm -74.29 -27.12 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.523 -0.736 . . . . 0.0 109.938 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.408 -0.807 . . . . 0.0 109.402 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -35.15 69.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.62 -0.675 . . . . 0.0 109.203 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.81 84.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.559 -0.713 . . . . 0.0 109.846 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.76 -31.84 73.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.587 -0.696 . . . . 0.0 109.134 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.88 76.19 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.552 -0.717 . . . . 0.0 109.538 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.9 66.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.665 -0.647 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.18 -41.18 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.756 -0.59 . . . . 0.0 110.088 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.464 HG22 HD11 ' A' ' 7' ' ' ILE . 50.4 mm -64.28 -32.62 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.38 -0.825 . . . . 0.0 109.049 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -41.33 98.25 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -70.91 -28.66 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -45.86 91.69 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.501 -0.749 . . . . 0.0 109.164 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.5 -35.09 79.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.0 69.84 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.523 -0.735 . . . . 0.0 109.685 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.39 -30.19 71.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.538 -0.726 . . . . 0.0 109.396 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.7 69.24 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.89 -50.97 67.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.68 -0.637 . . . . 0.0 110.674 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -55.76 -45.79 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.524 -0.735 . . . . 0.0 110.555 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.51 -28.26 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.431 -0.793 . . . . 0.0 109.588 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -37.68 81.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.576 -0.703 . . . . 0.0 109.329 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.403 HD11 HG22 ' A' ' 9' ' ' ILE . 40.0 mm -74.17 -31.1 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.588 -0.695 . . . . 0.0 109.48 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.38 -47.44 82.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.601 -0.687 . . . . 0.0 109.233 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.43 -37.88 83.72 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -25.48 67.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.716 -0.615 . . . . 0.0 110.055 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.849 . . . . 0.0 110.214 -179.252 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -28.42 63.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -50.78 53.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.532 -0.73 . . . . 0.0 109.411 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.28 -49.45 77.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.81 -0.556 . . . . 0.0 110.42 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.0 t -56.01 -45.2 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.625 -0.672 . . . . 0.0 110.415 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.3 mt -69.21 -24.33 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.429 -0.794 . . . . 0.0 109.841 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -38.48 71.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.614 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG22 HD11 ' A' ' 9' ' ' ILE . 42.7 mm -76.65 -30.26 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.722 . . . . 0.0 109.554 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -40.95 98.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.706 . . . . 0.0 109.43 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.16 -35.35 56.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.583 -0.698 . . . . 0.0 109.385 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.69 -34.59 73.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.54 -0.725 . . . . 0.0 109.816 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.02 -33.17 74.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.651 -0.655 . . . . 0.0 109.687 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.33 65.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.423 -0.798 . . . . 0.0 109.694 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.77 67.77 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 0.0 110.626 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.98 -33.98 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.594 -0.691 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.78 -34.87 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.364 -0.835 . . . . 0.0 109.736 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -37.82 86.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.527 -0.733 . . . . 0.0 109.373 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.51 -28.59 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.557 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.29 -41.29 94.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.516 -0.74 . . . . 0.0 109.291 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -35.91 62.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.578 -0.701 . . . . 0.0 109.149 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.87 74.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.513 -0.742 . . . . 0.0 109.503 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.653 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.5 -32.77 74.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.606 -0.684 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.54 69.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.422 -0.799 . . . . 0.0 109.781 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.8 73.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.644 -0.66 . . . . 0.0 110.259 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -53.88 -37.68 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.754 -0.591 . . . . 0.0 110.597 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.42 HG21 HD11 ' A' ' 7' ' ' ILE . 50.5 mm -73.14 -31.25 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.37 -0.831 . . . . 0.0 109.564 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -36.0 81.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.47 -0.769 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.08 -30.62 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.631 -0.668 . . . . 0.0 109.537 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -63.39 -45.61 90.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.5 -36.53 79.04 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.17 68.18 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.775 -0.578 . . . . 0.0 109.937 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.468 -0.77 . . . . 0.0 109.909 -179.726 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.71 -31.38 71.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.618 -0.676 . . . . 0.0 109.483 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.16 71.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.644 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.81 -50.16 73.21 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.749 -0.595 . . . . 0.0 110.53 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -53.7 -49.88 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.518 -0.739 . . . . 0.0 110.491 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.79 -28.52 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.4 -0.812 . . . . 0.0 109.451 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -63.97 -42.91 97.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.508 -0.745 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.42 -31.22 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -45.63 92.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.59 -0.694 . . . . 0.0 109.408 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.19 -34.41 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.565 -0.709 . . . . 0.0 109.287 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -32.22 66.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.676 -0.64 . . . . 0.0 109.973 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.626 -0.671 . . . . 0.0 109.376 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -33.97 75.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.458 -0.776 . . . . 0.0 109.671 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.14 66.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.539 -0.726 . . . . 0.0 109.995 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.98 70.41 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.559 -0.713 . . . . 0.0 110.41 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -50.96 -40.33 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.544 -0.722 . . . . 0.0 110.77 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.2 -37.94 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.384 -0.822 . . . . 0.0 109.377 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -61.84 -36.42 81.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.608 -0.683 . . . . 0.0 109.681 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.39 -30.17 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.671 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.35 -34.72 61.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.571 -0.705 . . . . 0.0 109.271 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.0 81.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.583 -0.698 . . . . 0.0 109.92 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.6 -0.688 . . . . 0.0 109.347 179.836 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -35.11 78.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.536 -0.727 . . . . 0.0 109.597 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.8 71.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . 0.0 109.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.08 70.75 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.616 -0.677 . . . . 0.0 110.188 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -55.03 -35.24 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.722 -0.611 . . . . 0.0 110.474 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.56 -32.47 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.787 . . . . 0.0 109.82 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.9 -37.48 79.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.521 -0.737 . . . . 0.0 109.644 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.23 -29.61 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.626 -0.672 . . . . 0.0 109.544 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -51.95 57.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.587 -0.695 . . . . 0.0 109.18 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.18 -36.12 83.03 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.576 -0.702 . . . . 0.0 109.276 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.654 -0.654 . . . . 0.0 109.787 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.495 -0.753 . . . . 0.0 109.949 -179.741 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -35.44 75.64 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.803 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.564 -0.71 . . . . 0.0 109.649 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.39 -50.18 62.97 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.667 -0.646 . . . . 0.0 110.95 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.9 t -54.59 -54.44 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.486 -0.759 . . . . 0.0 110.614 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.6 mm -60.79 -23.56 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.804 . . . . 0.0 109.972 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.43 -39.63 67.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.414 -0.804 . . . . 0.0 109.969 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.77 -36.74 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.581 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.89 -42.11 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.516 -0.74 . . . . 0.0 109.281 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.46 -35.24 77.29 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.13 83.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.72 -0.612 . . . . 0.0 109.78 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.604 -0.685 . . . . 0.0 109.696 -179.986 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.24 -31.98 73.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.592 -0.693 . . . . 0.0 109.516 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.01 71.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.565 -0.71 . . . . 0.0 109.775 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.9 -49.69 68.01 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.625 -0.672 . . . . 0.0 110.597 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -52.75 -47.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.62 -0.675 . . . . 0.0 110.629 -179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 7' ' ' ILE . 50.2 mm -61.75 -32.19 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.398 -0.814 . . . . 0.0 109.683 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.14 -44.34 92.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.472 -0.767 . . . . 0.0 109.432 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt -63.7 -29.61 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.566 -0.709 . . . . 0.0 109.163 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -62.63 -45.75 91.43 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.468 -0.77 . . . . 0.0 109.165 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.94 -35.67 81.9 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.03 -28.26 69.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.725 -0.61 . . . . 0.0 109.584 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.462 -0.773 . . . . 0.0 109.924 -179.762 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -35.48 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.572 -0.705 . . . . 0.0 109.567 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -52.0 67.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 109.712 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.74 72.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.683 -0.635 . . . . 0.0 110.203 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -52.27 -42.03 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.685 -0.635 . . . . 0.0 110.631 -179.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.31 -36.85 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.43 -0.794 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.55 -40.78 97.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.653 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -71.93 -24.69 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.667 -0.646 . . . . 0.0 109.689 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -68.76 -39.01 80.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 109.222 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -76.29 -34.78 59.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.717 -0.614 . . . . 0.0 109.407 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.19 87.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.646 -0.659 . . . . 0.0 109.931 -179.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.705 . . . . 0.0 109.685 -179.693 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.8 -39.08 80.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.361 -0.837 . . . . 0.0 109.909 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -50.41 72.17 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.516 -0.74 . . . . 0.0 109.568 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.13 -48.57 64.77 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.66 -0.65 . . . . 0.0 110.785 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.11 -36.17 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.615 -0.678 . . . . 0.0 110.102 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.75 -26.28 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.384 -0.823 . . . . 0.0 109.84 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -75.38 -44.66 43.65 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.426 -0.796 . . . . 0.0 110.101 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.2 mm -72.18 -29.37 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.44 -0.788 . . . . 0.0 109.859 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.13 -53.4 45.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 0.0 109.34 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -36.34 79.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.523 -0.736 . . . . 0.0 109.161 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.59 71.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.711 -0.618 . . . . 0.0 109.53 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.623 -0.673 . . . . 0.0 109.678 179.991 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.93 -30.73 66.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.066 -1.021 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.07 65.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.475 -0.766 . . . . 0.0 109.593 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.64 76.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.711 -0.618 . . . . 0.0 110.252 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.1 t -51.33 -33.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.545 -0.722 . . . . 0.0 110.937 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mt -71.44 -38.25 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.359 -0.838 . . . . 0.0 109.627 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -64.48 -36.66 84.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.538 -0.726 . . . . 0.0 109.679 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 9' ' ' ILE . 39.5 mm -79.55 -24.09 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.508 -0.745 . . . . 0.0 109.871 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -40.65 73.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.414 -0.804 . . . . 0.0 109.164 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.46 -34.88 41.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.644 -0.66 . . . . 0.0 109.372 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.42 95.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.545 -0.722 . . . . 0.0 109.91 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.59 -0.693 . . . . 0.0 110.468 -179.495 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -37.55 86.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 109.692 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.24 64.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.456 -0.778 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.59 72.55 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.574 -0.704 . . . . 0.0 110.625 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.2 t -53.23 -51.76 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.563 -0.711 . . . . 0.0 110.671 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 mm -62.68 -26.99 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.0 109.876 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.67 -38.18 80.19 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.378 -0.826 . . . . 0.0 109.718 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mt -80.6 -23.67 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.686 -0.634 . . . . 0.0 109.949 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -70.0 -44.45 69.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.212 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -77.22 -37.18 53.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.619 -0.676 . . . . 0.0 109.299 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.62 68.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.806 -0.559 . . . . 0.0 109.981 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.526 -0.734 . . . . 0.0 110.341 -179.037 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -43.12 87.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.468 -0.77 . . . . 0.0 109.064 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.03 -49.01 76.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.606 -0.684 . . . . 0.0 109.465 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.04 64.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.702 -0.624 . . . . 0.0 110.879 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.39 -51.37 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.65 -0.656 . . . . 0.0 110.233 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.94 -25.88 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.488 -0.758 . . . . 0.0 109.701 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -66.79 -42.23 86.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.85 . . . . 0.0 109.429 -179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -67.56 -30.67 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.618 -0.676 . . . . 0.0 109.288 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -46.67 87.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.576 -0.703 . . . . 0.0 109.129 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.31 -36.12 82.65 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.31 76.49 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.838 -0.539 . . . . 0.0 109.847 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.536 -0.727 . . . . 0.0 109.376 179.945 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.08 -35.24 59.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.605 -0.684 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.24 73.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.628 -0.67 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.83 73.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.796 -0.565 . . . . 0.0 110.903 -179.591 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.1 t -52.7 -56.74 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.028 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.47 -23.67 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.48 -0.762 . . . . 0.0 109.465 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -37.17 85.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.133 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.4 mt -73.0 -31.8 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.33 -47.4 82.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.673 -0.642 . . . . 0.0 109.502 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -33.81 73.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -39.37 80.36 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.652 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.681 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -35.51 77.15 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.484 -0.76 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.82 72.28 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.568 -0.707 . . . . 0.0 109.675 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.35 75.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 110.258 -179.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.72 -33.02 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.667 -0.646 . . . . 0.0 110.37 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 7' ' ' ILE . 48.7 mm -73.68 -34.0 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.87 -37.85 87.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.483 -0.76 . . . . 0.0 109.497 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -80.17 -25.0 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.552 -0.718 . . . . 0.0 109.76 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -67.74 -44.72 76.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.4 -0.813 . . . . 0.0 109.245 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -36.21 75.3 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.91 86.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.582 -0.699 . . . . 0.0 109.823 -179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.23 -179.59 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.99 -30.77 70.48 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.493 -0.754 . . . . 0.0 109.542 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 -50.59 67.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.668 -0.645 . . . . 0.0 109.363 179.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.15 66.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.63 -0.669 . . . . 0.0 110.485 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 t -54.1 -45.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.655 -0.653 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -63.99 -31.02 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -44.34 96.76 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.22 -30.08 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.441 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.24 -42.74 99.59 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.72 -34.03 77.24 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.2 -27.25 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.747 -0.596 . . . . 0.0 109.395 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.755 -179.855 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.85 -32.28 70.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.003 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.45 -51.54 69.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.423 -0.798 . . . . 0.0 109.765 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.65 -50.05 69.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.62 -0.675 . . . . 0.0 110.415 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.0 -32.25 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.648 -0.658 . . . . 0.0 110.703 -179.424 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 mt -67.86 -41.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.431 -0.793 . . . . 0.0 109.273 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -42.64 99.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.539 -0.726 . . . . 0.0 109.217 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.22 -27.07 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -46.14 84.57 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.586 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.76 -36.89 85.76 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.18 -25.04 65.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.41 -0.806 . . . . 0.0 109.393 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.625 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.57 -30.35 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.572 -0.705 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.24 -39.35 82.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.566 -0.709 . . . . 0.0 109.691 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.79 76.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.494 -0.754 . . . . 0.0 109.681 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.13 67.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.737 -0.602 . . . . 0.0 110.528 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 t -54.11 -41.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.632 -0.667 . . . . 0.0 110.694 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 7' ' ' ILE . 50.5 mm -67.0 -31.81 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.374 -0.829 . . . . 0.0 109.535 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.94 89.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.495 -0.753 . . . . 0.0 109.721 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.4 mt -72.19 -30.04 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.51 -0.744 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.1 -42.7 99.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.11 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.58 -39.22 77.44 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.82 69.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.787 -0.571 . . . . 0.0 109.819 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.64 -23.12 37.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.677 . . . . 0.0 110.222 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.51 -3.97 54.63 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.402 -0.811 . . . . 0.0 110.795 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.62 -53.28 1.57 Allowed Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.012 -1.055 . . . . 0.0 109.749 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -79.16 -21.86 8.9 Favored 'Trans proline' 0 N--CA 1.5 1.904 1 C-N-CA 125.891 4.394 . . . . 0.0 110.211 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.7 -34.61 34.49 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.341 -0.849 . . . . 0.0 110.115 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.9 tp -77.67 -39.88 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.401 -0.812 . . . . 0.0 109.792 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -61.55 151.37 33.27 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.483 -0.76 . . . . 0.0 109.75 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -103.2 29.09 5.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.548 -0.72 . . . . 0.0 109.391 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.2 -113.65 2.12 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.804 -1.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.651 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.13 -32.48 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.597 -0.689 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.75 -31.94 72.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.62 69.38 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.66 -0.65 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -50.24 69.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.644 -0.66 . . . . 0.0 110.687 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 t -53.61 -51.25 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.465 -0.772 . . . . 0.0 110.613 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 mt -61.09 -28.17 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.427 -0.795 . . . . 0.0 109.734 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -38.71 85.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.53 -0.731 . . . . 0.0 109.605 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mt -68.45 -32.96 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.602 -0.686 . . . . 0.0 109.421 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -62.93 -40.46 97.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.488 -0.757 . . . . 0.0 109.209 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.51 -34.57 72.46 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.71 -34.9 69.94 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.725 -0.609 . . . . 0.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.28 -42.31 55.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.577 -0.702 . . . . 0.0 109.347 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -84.52 11.61 8.41 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.547 -0.72 . . . . 0.0 110.897 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.411 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -57.07 -51.28 82.82 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.94 -1.1 . . . . 0.0 110.581 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 15' ' ' SER . 38.4 Cg_endo -77.86 -23.69 9.19 Favored 'Trans proline' 0 N--CA 1.5 1.881 1 C-N-CA 125.908 4.405 . . . . 0.0 110.37 -179.655 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.51 -25.78 57.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.417 -0.802 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 18' ' ' ILE . 45.4 mm -100.23 -22.52 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.399 -0.813 . . . . 0.0 110.145 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 p -58.83 154.67 14.49 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.246 -0.909 . . . . 0.0 109.99 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -98.55 33.91 2.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.574 -0.704 . . . . 0.0 109.447 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.56 -52.03 2.06 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.833 -1.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.689 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.18 -28.19 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.58 -0.7 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -30.84 65.41 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.518 -0.739 . . . . 0.0 109.925 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.76 72.35 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.434 -0.791 . . . . 0.0 109.469 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.61 73.27 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.721 -0.612 . . . . 0.0 110.198 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.22 -44.59 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.71 -0.619 . . . . 0.0 110.468 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.473 HG22 HD11 ' A' ' 7' ' ' ILE . 47.8 mm -64.14 -34.28 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.497 -0.752 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -38.99 87.65 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.472 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -69.3 -31.32 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -43.53 98.43 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -65.76 -39.09 90.71 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.9 70.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.759 -0.588 . . . . 0.0 109.635 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -28.16 57.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.647 -0.658 . . . . 0.0 109.588 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.81 -19.94 36.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.5 -0.75 . . . . 0.0 110.762 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -57.29 -51.86 78.51 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 121.105 -0.997 . . . . 0.0 110.387 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -75.4 -28.27 8.68 Favored 'Trans proline' 0 N--CA 1.5 1.873 1 C-N-CA 125.604 4.202 . . . . 0.0 109.879 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.5 -30.2 70.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.511 -0.743 . . . . 0.0 109.381 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.8 mt -78.39 -51.93 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.603 -0.685 . . . . 0.0 109.402 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 t -63.12 111.51 2.24 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.435 -0.791 . . . . 0.0 109.467 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -105.01 30.12 5.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.513 -0.742 . . . . 0.0 109.732 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.55 -47.72 0.05 OUTLIER Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.898 -1.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.686 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 t -77.93 -35.59 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.647 -0.658 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -34.0 77.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.54 -0.725 . . . . 0.0 109.083 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.51 74.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.581 -0.7 . . . . 0.0 109.477 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.07 -48.21 64.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.735 -0.603 . . . . 0.0 110.632 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -54.95 -46.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 0.0 110.41 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.98 -28.24 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.396 -0.815 . . . . 0.0 109.455 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.07 -41.68 90.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.573 -0.705 . . . . 0.0 109.363 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.29 -30.56 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.28 -52.1 63.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.525 -0.734 . . . . 0.0 109.539 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.86 -33.62 76.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.619 -0.676 . . . . 0.0 109.206 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.53 -24.24 67.07 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.786 -0.571 . . . . 0.0 109.935 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.58 -42.55 42.24 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 0.0 109.721 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -81.93 -12.6 58.31 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.555 -0.716 . . . . 0.0 110.681 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -61.9 -53.77 56.94 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.035 . . . . 0.0 110.024 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -73.48 -24.5 16.2 Favored 'Trans proline' 0 N--CA 1.502 1.98 1 C-N-CA 125.576 4.184 . . . . 0.0 110.026 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.92 -32.9 74.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.484 -0.76 . . . . 0.0 109.119 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -154.23 48.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.669 -0.644 . . . . 0.0 109.462 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 t -58.69 -41.39 86.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.357 -0.84 . . . . 0.0 109.908 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -103.5 37.54 1.99 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.557 -0.714 . . . . 0.0 109.52 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.9 -57.8 11.32 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.591 -1.403 . . . . 0.0 109.591 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.835 -1.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.584 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 t -76.76 -53.47 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.536 -0.727 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -31.37 72.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.565 -0.71 . . . . 0.0 109.288 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.61 71.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.611 -0.681 . . . . 0.0 109.692 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.52 -48.88 71.41 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.697 -0.627 . . . . 0.0 110.605 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.69 -54.17 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.506 -0.747 . . . . 0.0 110.523 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm -61.29 -26.85 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.411 -0.806 . . . . 0.0 109.78 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -41.58 91.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.3 mt -67.66 -31.84 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.86 -49.54 74.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.582 -0.699 . . . . 0.0 109.405 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -33.63 76.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.67 -0.643 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.13 91.29 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.699 . . . . 0.0 109.884 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.56 -29.32 67.85 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.544 -0.723 . . . . 0.0 109.549 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tp -81.19 -17.24 50.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.482 -0.761 . . . . 0.0 110.435 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -54.93 51.28 Favored Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.246 -0.909 . . . . 0.0 110.132 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -74.99 -27.11 10.31 Favored 'Trans proline' 0 N--CA 1.499 1.812 1 C-N-CA 125.746 4.297 . . . . 0.0 109.764 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.56 72.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.488 -0.758 . . . . 0.0 108.995 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.2 mm -135.45 28.39 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.668 -0.645 . . . . 0.0 109.731 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 t -61.53 170.03 2.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.313 -0.867 . . . . 0.0 109.374 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -101.16 27.93 5.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.562 -0.711 . . . . 0.0 109.569 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.78 157.49 18.21 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.418 0 O-C-N 119.89 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.631 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.2 t -76.42 -66.59 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.551 -0.718 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.84 -30.51 71.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.505 -0.747 . . . . 0.0 109.603 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.52 -52.13 66.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.475 -0.766 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.73 73.94 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.307 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -54.53 -41.3 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.683 -0.635 . . . . 0.0 110.63 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -70.56 -29.16 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 109.464 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.33 -43.4 86.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.55 -29.16 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.737 . . . . 0.0 109.569 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -44.68 92.51 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.557 -0.714 . . . . 0.0 109.121 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.438 ' CZ ' ' CD1' ' A' ' 18' ' ' ILE . 2.1 t80 -65.66 -36.58 84.09 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.86 80.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.718 -0.613 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.02 -22.07 39.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.537 -0.727 . . . . 0.0 110.053 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.73 47.39 1.43 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.451 -0.781 . . . . 0.0 110.803 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -73.67 -51.45 5.31 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 109.504 179.7 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 15' ' ' SER . 38.3 Cg_endo -79.44 -25.71 5.44 Favored 'Trans proline' 0 N--CA 1.498 1.752 1 C-N-CA 125.895 4.397 . . . . 0.0 109.608 179.685 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.56 84.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.479 -0.763 . . . . 0.0 109.322 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 58.9 mt -95.52 -62.71 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.479 -0.763 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -169.06 0.29 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -105.27 32.45 4.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.519 -0.738 . . . . 0.0 109.742 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.99 40.61 3.04 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.863 -1.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.636 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.5 -29.7 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.577 -0.702 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.41 -35.5 77.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.519 -0.738 . . . . 0.0 109.712 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -51.18 69.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.9 74.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.719 -0.613 . . . . 0.0 110.454 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.37 -29.69 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.595 -0.691 . . . . 0.0 110.727 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.34 -34.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.34 -0.85 . . . . 0.0 109.425 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.78 -36.64 80.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -79.23 -32.85 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.437 -0.79 . . . . 0.0 109.603 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.52 -43.5 96.99 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -34.38 77.77 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.15 89.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.655 -0.653 . . . . 0.0 109.723 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.71 -12.45 59.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.583 -0.698 . . . . 0.0 110.449 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.55 -27.69 34.24 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.256 -0.902 . . . . 0.0 110.25 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -55.26 44.14 Favored Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.421 -0.799 . . . . 0.0 110.112 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -76.64 -14.67 17.6 Favored 'Trans proline' 0 N--CA 1.501 1.933 1 C-N-CA 125.808 4.339 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.28 -30.86 33.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.231 -0.918 . . . . 0.0 110.253 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.8 mm -98.26 -35.33 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.427 -0.796 . . . . 0.0 110.244 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -61.22 119.86 9.24 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.504 -0.748 . . . . 0.0 109.819 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -104.15 32.07 4.2 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.21 102.16 2.81 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.883 -1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.614 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.1 -66.01 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.61 -0.681 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.97 -33.39 75.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.583 -0.698 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.98 71.83 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.474 -0.766 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.31 67.92 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.628 -0.67 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.9 t -52.63 -39.84 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.717 -0.614 . . . . 0.0 110.457 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -64.62 -37.63 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.376 -0.828 . . . . 0.0 109.268 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.02 -39.26 89.08 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.548 -0.72 . . . . 0.0 109.278 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.9 mt -70.56 -30.1 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -63.26 -37.12 86.02 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -35.06 64.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.73 89.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.738 -0.601 . . . . 0.0 109.726 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.37 49.94 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.548 -0.72 . . . . 0.0 109.802 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.79 -15.83 50.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.44 -0.788 . . . . 0.0 110.527 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -54.13 49.78 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.035 -1.04 . . . . 0.0 110.484 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -75.47 -15.2 19.87 Favored 'Trans proline' 0 N--CA 1.501 1.947 1 C-N-CA 125.789 4.326 . . . . 0.0 110.381 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.7 -29.62 40.79 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.209 -0.932 . . . . 0.0 109.403 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 pt -107.15 -4.04 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.569 -0.707 . . . . 0.0 110.638 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -56.06 125.82 23.26 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.05 -1.031 . . . . 0.0 110.156 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -100.99 30.64 3.97 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.702 -0.624 . . . . 0.0 109.519 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.88 -106.55 1.68 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.88 -1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.625 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.69 -34.12 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.61 -0.681 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -28.62 62.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.565 -0.71 . . . . 0.0 109.511 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.16 -52.13 65.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.552 -0.717 . . . . 0.0 109.627 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.11 77.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.693 -0.63 . . . . 0.0 110.32 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.0 t -52.46 -44.43 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.604 -0.685 . . . . 0.0 110.767 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.1 -29.69 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.418 -0.802 . . . . 0.0 109.676 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.95 -35.93 81.96 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.595 -0.691 . . . . 0.0 109.414 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mt -79.08 -28.43 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 109.56 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -39.08 85.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.492 -0.755 . . . . 0.0 109.409 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.43 -35.14 35.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.6 -0.687 . . . . 0.0 109.589 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.15 85.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.687 -0.633 . . . . 0.0 109.934 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.36 -49.55 10.55 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.561 -0.712 . . . . 0.0 110.081 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.98 9.03 13.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.489 -0.757 . . . . 0.0 111.235 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -55.83 37.87 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.975 -1.078 . . . . 0.0 109.699 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -74.97 -26.03 11.35 Favored 'Trans proline' 0 N--CA 1.501 1.917 1 C-N-CA 125.777 4.318 . . . . 0.0 109.66 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.9 -29.72 69.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.486 -0.759 . . . . 0.0 109.321 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.9 tt -157.38 50.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.522 -0.736 . . . . 0.0 109.659 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 t -59.76 -27.93 66.95 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.482 -0.761 . . . . 0.0 109.883 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -102.13 40.04 1.4 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.459 -0.775 . . . . 0.0 109.665 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.38 -48.04 0.02 OUTLIER Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.835 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t -73.65 -38.12 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.579 -0.701 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -39.25 93.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.571 -0.706 . . . . 0.0 109.371 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.21 -50.29 73.71 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.617 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.8 -50.31 61.02 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.663 -0.648 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.36 -34.55 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.613 -0.679 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.8 mt -71.0 -32.2 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.42 -0.8 . . . . 0.0 109.672 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.18 -38.85 78.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.495 -0.753 . . . . 0.0 109.545 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 9' ' ' ILE . 57.4 mt -74.46 -27.7 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 109.699 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -67.01 -46.91 73.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 109.042 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.18 -35.24 79.65 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.72 31.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.756 -0.59 . . . . 0.0 109.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.25 5.72 19.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.576 -0.702 . . . . 0.0 110.999 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.24 -16.67 60.95 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.038 -1.039 . . . . 0.0 110.679 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -57.14 4.24 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.201 -0.937 . . . . 0.0 109.965 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -75.51 -24.05 12.41 Favored 'Trans proline' 0 N--CA 1.501 1.93 1 C-N-CA 125.742 4.295 . . . . 0.0 109.887 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.99 76.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.431 -0.793 . . . . 0.0 109.427 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 tt -85.79 -34.03 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.5 -0.75 . . . . 0.0 109.442 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.7 m -91.09 105.09 17.57 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.626 -0.672 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -104.65 28.12 7.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.557 -0.714 . . . . 0.0 109.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.31 52.01 5.83 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.829 -1.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.696 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.43 -32.9 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.616 -0.677 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.22 -29.01 70.09 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.636 -0.665 . . . . 0.0 109.627 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.73 69.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.474 -0.766 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.98 73.94 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.666 -0.646 . . . . 0.0 110.442 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.1 t -52.39 -52.24 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.548 -0.72 . . . . 0.0 110.736 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.408 HG21 HD11 ' A' ' 7' ' ' ILE . 50.0 mm -62.45 -27.94 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.479 -0.763 . . . . 0.0 109.613 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -64.1 -44.42 92.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.483 -0.761 . . . . 0.0 109.692 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.453 HD11 HG22 ' A' ' 9' ' ' ILE . 43.5 mm -74.29 -27.12 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.523 -0.736 . . . . 0.0 109.938 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.408 -0.807 . . . . 0.0 109.402 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -35.15 69.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.62 -0.675 . . . . 0.0 109.203 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.81 84.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.28 -24.38 42.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.559 -0.713 . . . . 0.0 109.846 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 mt -81.68 -16.03 52.61 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.385 -0.822 . . . . 0.0 110.477 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -54.96 51.02 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.198 -0.939 . . . . 0.0 110.016 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -74.98 -27.34 10.14 Favored 'Trans proline' 0 N--CA 1.499 1.803 1 C-N-CA 125.728 4.285 . . . . 0.0 109.585 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.58 70.57 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 tt -152.75 45.66 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.524 -0.735 . . . . 0.0 109.548 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -60.38 170.31 1.39 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.387 -0.82 . . . . 0.0 109.622 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -100.93 36.32 1.99 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.579 -0.701 . . . . 0.0 109.493 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -112.99 106.17 1.79 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.924 -1.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 p -64.03 -37.69 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.608 -0.682 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.76 -31.84 73.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.587 -0.696 . . . . 0.0 109.134 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.88 76.19 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.552 -0.717 . . . . 0.0 109.538 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.9 66.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.665 -0.647 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.18 -41.18 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.756 -0.59 . . . . 0.0 110.088 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.464 HG22 HD11 ' A' ' 7' ' ' ILE . 50.4 mm -64.28 -32.62 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.38 -0.825 . . . . 0.0 109.049 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -41.33 98.25 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -70.91 -28.66 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -45.86 91.69 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.501 -0.749 . . . . 0.0 109.164 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.5 -35.09 79.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.0 69.84 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.75 -29.68 56.23 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.523 -0.735 . . . . 0.0 109.685 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.4 mt -81.63 78.59 8.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.596 -0.69 . . . . 0.0 109.626 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -79.78 -47.75 1.44 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.581 -0.7 . . . . 0.0 110.489 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 15' ' ' SER . 39.6 Cg_endo -81.08 -18.74 8.6 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 C-N-CA 125.697 4.265 . . . . 0.0 110.124 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.97 -41.93 20.11 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.372 -0.83 . . . . 0.0 110.513 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.8 tt -99.24 -29.91 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.291 -0.88 . . . . 0.0 110.205 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.49 48.02 1.03 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.763 . . . . 0.0 109.367 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -104.85 31.8 4.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.524 -0.735 . . . . 0.0 109.435 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.44 -106.85 0.28 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.87 -1.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.654 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.61 -42.72 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.571 -0.705 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.39 -30.19 71.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.538 -0.726 . . . . 0.0 109.396 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.7 69.24 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.89 -50.97 67.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.68 -0.637 . . . . 0.0 110.674 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -55.76 -45.79 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.524 -0.735 . . . . 0.0 110.555 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.51 -28.26 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.431 -0.793 . . . . 0.0 109.588 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -37.68 81.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.576 -0.703 . . . . 0.0 109.329 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD11 HG22 ' A' ' 9' ' ' ILE . 40.0 mm -74.17 -31.1 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.588 -0.695 . . . . 0.0 109.48 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.38 -47.44 82.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.601 -0.687 . . . . 0.0 109.233 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.43 -37.88 83.72 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -25.48 67.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.716 -0.615 . . . . 0.0 110.055 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.83 -47.97 11.29 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.849 . . . . 0.0 110.214 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.62 -4.17 41.58 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.482 -0.761 . . . . 0.0 111.335 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.81 -57.89 1.15 Allowed Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.047 -1.033 . . . . 0.0 109.516 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -76.2 -29.86 6.04 Favored 'Trans proline' 0 N--CA 1.501 1.93 1 C-N-CA 125.801 4.334 . . . . 0.0 109.572 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.93 75.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.639 -0.663 . . . . 0.0 109.394 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.4 pt -154.39 62.36 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.576 -0.703 . . . . 0.0 109.893 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 t -56.09 168.82 0.45 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.214 -0.929 . . . . 0.0 109.881 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -103.38 35.6 2.53 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.532 -0.73 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.76 173.01 42.5 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.922 -1.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.641 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.0 t -79.61 -61.18 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.63 -0.669 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -28.42 63.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -50.78 53.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.532 -0.73 . . . . 0.0 109.411 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.28 -49.45 77.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.81 -0.556 . . . . 0.0 110.42 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.0 t -56.01 -45.2 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.625 -0.672 . . . . 0.0 110.415 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.3 mt -69.21 -24.33 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.429 -0.794 . . . . 0.0 109.841 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -38.48 71.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.614 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG22 HD11 ' A' ' 9' ' ' ILE . 42.7 mm -76.65 -30.26 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.722 . . . . 0.0 109.554 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -40.95 98.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.706 . . . . 0.0 109.43 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.16 -35.35 56.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.583 -0.698 . . . . 0.0 109.385 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.69 -34.59 73.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.54 -0.725 . . . . 0.0 109.816 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.23 -34.7 55.92 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.3 mt -84.71 3.36 37.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.662 -0.649 . . . . 0.0 110.903 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.79 -53.06 69.66 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 120.944 -1.097 . . . . 0.0 110.408 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.23 -21.43 11.92 Favored 'Trans proline' 0 N--CA 1.5 1.858 1 C-N-CA 125.976 4.451 . . . . 0.0 110.151 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.76 -29.61 62.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.372 -0.83 . . . . 0.0 109.612 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 pt -97.94 -23.03 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.516 -0.74 . . . . 0.0 110.124 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -96.48 28.16 3.47 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.384 -0.823 . . . . 0.0 109.912 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -105.0 29.51 6.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.457 -0.777 . . . . 0.0 109.422 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.0 46.85 1.67 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.845 -1.974 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.664 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 t -77.9 -33.48 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.662 -0.649 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.02 -33.17 74.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.651 -0.655 . . . . 0.0 109.687 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.33 65.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.423 -0.798 . . . . 0.0 109.694 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.77 67.77 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 0.0 110.626 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.98 -33.98 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.594 -0.691 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.78 -34.87 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.364 -0.835 . . . . 0.0 109.736 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -37.82 86.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.527 -0.733 . . . . 0.0 109.373 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.51 -28.59 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.557 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.29 -41.29 94.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.516 -0.74 . . . . 0.0 109.291 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -35.91 62.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.578 -0.701 . . . . 0.0 109.149 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.87 74.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.513 -0.742 . . . . 0.0 109.503 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -35.79 66.64 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.9 mt -85.66 13.51 6.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.69 -0.631 . . . . 0.0 111.027 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -69.99 -54.23 10.17 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.004 -1.06 . . . . 0.0 109.476 -179.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 39.3 Cg_endo -78.98 -29.49 3.27 Favored 'Trans proline' 0 N--CA 1.499 1.829 1 C-N-CA 125.808 4.339 . . . . 0.0 109.513 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.8 -28.17 60.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.57 -0.706 . . . . 0.0 109.563 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.3 mm -114.73 8.63 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.535 -0.728 . . . . 0.0 110.406 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 t -61.17 139.32 58.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.041 -1.037 . . . . 0.0 109.604 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -104.24 27.03 8.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.618 -0.676 . . . . 0.0 109.919 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.04 131.1 1.49 Allowed Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.861 -1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.595 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 t -70.71 -29.82 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.576 -0.702 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.5 -32.77 74.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.606 -0.684 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.54 69.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.422 -0.799 . . . . 0.0 109.781 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.8 73.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.644 -0.66 . . . . 0.0 110.259 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -53.88 -37.68 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.754 -0.591 . . . . 0.0 110.597 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.42 HG21 HD11 ' A' ' 7' ' ' ILE . 50.5 mm -73.14 -31.25 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.37 -0.831 . . . . 0.0 109.564 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -36.0 81.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.47 -0.769 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.08 -30.62 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.631 -0.668 . . . . 0.0 109.537 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -63.39 -45.61 90.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.5 -36.53 79.04 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.17 68.18 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.775 -0.578 . . . . 0.0 109.937 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.1 -48.77 32.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.468 -0.77 . . . . 0.0 109.909 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mp -83.39 -5.77 59.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.502 -0.749 . . . . 0.0 110.916 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -54.5 42.0 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.041 -1.037 . . . . 0.0 109.838 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -76.22 -23.31 11.97 Favored 'Trans proline' 0 N--CA 1.501 1.913 1 C-N-CA 125.841 4.361 . . . . 0.0 110.14 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.89 64.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.42 -0.8 . . . . 0.0 109.705 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.6 mt -76.12 -49.43 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.434 -0.791 . . . . 0.0 109.534 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.3 t -61.36 163.95 6.08 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.531 -0.731 . . . . 0.0 109.713 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -104.42 32.12 4.24 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.539 -0.726 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.28 142.53 16.22 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.861 -1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.646 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.05 -33.16 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.6 -0.688 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.71 -31.38 71.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.618 -0.676 . . . . 0.0 109.483 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.16 71.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.644 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.81 -50.16 73.21 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.749 -0.595 . . . . 0.0 110.53 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -53.7 -49.88 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.518 -0.739 . . . . 0.0 110.491 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.79 -28.52 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.4 -0.812 . . . . 0.0 109.451 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -63.97 -42.91 97.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.508 -0.745 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.42 -31.22 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -45.63 92.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.59 -0.694 . . . . 0.0 109.408 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.19 -34.41 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.565 -0.709 . . . . 0.0 109.287 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -32.22 66.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.676 -0.64 . . . . 0.0 109.973 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.77 -40.0 49.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.626 -0.671 . . . . 0.0 109.376 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.26 10.03 13.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.7 -0.625 . . . . 0.0 111.013 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -67.72 -53.42 21.7 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.99 -1.069 . . . . 0.0 110.2 -179.266 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 15' ' ' SER . 37.8 Cg_endo -76.73 -15.84 16.84 Favored 'Trans proline' 0 N--CA 1.499 1.823 1 C-N-CA 125.85 4.367 . . . . 0.0 110.522 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.1 -35.17 37.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.332 -0.855 . . . . 0.0 109.641 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 tt -81.75 -39.32 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.526 -0.734 . . . . 0.0 109.597 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.47 158.45 23.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.529 -0.732 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -102.61 30.75 4.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.522 -0.736 . . . . 0.0 109.353 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.61 -106.76 3.43 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.914 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.4 t -65.75 -28.72 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.574 -0.704 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -33.97 75.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.458 -0.776 . . . . 0.0 109.671 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.14 66.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.539 -0.726 . . . . 0.0 109.995 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.98 70.41 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.559 -0.713 . . . . 0.0 110.41 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -50.96 -40.33 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.544 -0.722 . . . . 0.0 110.77 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.2 -37.94 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.384 -0.822 . . . . 0.0 109.377 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -61.84 -36.42 81.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.608 -0.683 . . . . 0.0 109.681 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.39 -30.17 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.671 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.35 -34.72 61.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.571 -0.705 . . . . 0.0 109.271 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.0 81.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.583 -0.698 . . . . 0.0 109.92 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.09 -35.01 69.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.6 -0.688 . . . . 0.0 109.347 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -84.23 6.89 20.97 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.597 -0.69 . . . . 0.0 110.911 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -54.68 53.62 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.892 -1.13 . . . . 0.0 110.201 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -75.27 -17.61 18.83 Favored 'Trans proline' 0 N--CA 1.501 1.922 1 C-N-CA 125.847 4.364 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.78 -31.5 57.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.338 -0.851 . . . . 0.0 109.566 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.1 3.44 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.476 -0.765 . . . . 0.0 110.751 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.39 115.34 2.92 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.938 -1.101 . . . . 0.0 109.749 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.0 33.49 2.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.515 -0.74 . . . . 0.0 109.363 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.48 -78.72 0.21 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.87 -1.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.686 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.0 t -72.48 -34.78 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.618 -0.676 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -35.11 78.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.536 -0.727 . . . . 0.0 109.597 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.8 71.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . 0.0 109.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.08 70.75 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.616 -0.677 . . . . 0.0 110.188 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -55.03 -35.24 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.722 -0.611 . . . . 0.0 110.474 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.56 -32.47 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.787 . . . . 0.0 109.82 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.9 -37.48 79.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.521 -0.737 . . . . 0.0 109.644 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.23 -29.61 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.626 -0.672 . . . . 0.0 109.544 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -51.95 57.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.587 -0.695 . . . . 0.0 109.18 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.18 -36.12 83.03 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.576 -0.702 . . . . 0.0 109.276 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.654 -0.654 . . . . 0.0 109.787 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.52 -26.56 38.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.495 -0.753 . . . . 0.0 109.949 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -13.17 57.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.496 -0.753 . . . . 0.0 110.625 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -54.57 54.11 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.127 -0.983 . . . . 0.0 110.054 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -76.7 -25.16 9.58 Favored 'Trans proline' 0 N--CA 1.5 1.886 1 C-N-CA 125.78 4.32 . . . . 0.0 109.949 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.34 67.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.497 -0.752 . . . . 0.0 109.721 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.8 tt -90.91 -31.74 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.454 -0.779 . . . . 0.0 109.713 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -94.34 143.06 26.72 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.534 -0.729 . . . . 0.0 109.655 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -98.79 31.62 2.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.568 -0.708 . . . . 0.0 109.151 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.98 -128.92 1.94 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.873 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.64 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 t -80.11 -46.57 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.591 -0.693 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -35.44 75.64 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.803 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.564 -0.71 . . . . 0.0 109.649 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.39 -50.18 62.97 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.667 -0.646 . . . . 0.0 110.95 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.9 t -54.59 -54.44 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.486 -0.759 . . . . 0.0 110.614 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.6 mm -60.79 -23.56 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.804 . . . . 0.0 109.972 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.43 -39.63 67.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.414 -0.804 . . . . 0.0 109.969 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.77 -36.74 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.581 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.89 -42.11 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.516 -0.74 . . . . 0.0 109.281 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.46 -35.24 77.29 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.13 83.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.72 -0.612 . . . . 0.0 109.78 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.17 -27.02 47.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.604 -0.685 . . . . 0.0 109.696 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 tp -85.17 10.06 13.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.499 -0.751 . . . . 0.0 111.136 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -61.32 -51.89 74.69 Favored Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.041 -1.037 . . . . 0.0 110.154 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.0 -16.0 16.17 Favored 'Trans proline' 0 N--CA 1.501 1.957 1 C-N-CA 125.775 4.316 . . . . 0.0 110.503 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.48 -27.45 51.96 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 0.0 109.768 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 18' ' ' ILE . 60.6 mt -106.7 -24.24 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.403 -0.81 . . . . 0.0 110.118 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.8 m -90.16 -55.51 3.58 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.416 -0.802 . . . . 0.0 109.592 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -96.95 28.91 3.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.504 -0.747 . . . . 0.0 109.873 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.43 -91.87 0.05 OUTLIER Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.805 -1.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.613 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t -79.96 -56.27 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.24 -31.98 73.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.592 -0.693 . . . . 0.0 109.516 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.01 71.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.565 -0.71 . . . . 0.0 109.775 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.9 -49.69 68.01 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.625 -0.672 . . . . 0.0 110.597 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -52.75 -47.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.62 -0.675 . . . . 0.0 110.629 -179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 7' ' ' ILE . 50.2 mm -61.75 -32.19 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.398 -0.814 . . . . 0.0 109.683 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.14 -44.34 92.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.472 -0.767 . . . . 0.0 109.432 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt -63.7 -29.61 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.566 -0.709 . . . . 0.0 109.163 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -62.63 -45.75 91.43 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.468 -0.77 . . . . 0.0 109.165 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.94 -35.67 81.9 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.03 -28.26 69.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.725 -0.61 . . . . 0.0 109.584 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.16 -26.2 42.75 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.462 -0.773 . . . . 0.0 109.924 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.21 -20.27 41.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.334 -0.854 . . . . 0.0 110.528 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -58.93 -54.52 55.66 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.171 -0.956 . . . . 0.0 110.056 -179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -75.05 -21.47 15.72 Favored 'Trans proline' 0 N--CA 1.502 1.999 1 C-N-CA 125.731 4.287 . . . . 0.0 110.16 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.88 63.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.5 mm -127.72 16.36 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.501 -0.75 . . . . 0.0 110.359 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 t -63.74 -32.38 73.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.98 -1.075 . . . . 0.0 109.473 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -104.16 33.17 3.59 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.619 -0.676 . . . . 0.0 109.26 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.51 -163.5 10.44 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.953 -1.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.601 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.3 t -79.46 -39.25 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.553 -0.717 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -35.48 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.572 -0.705 . . . . 0.0 109.567 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -52.0 67.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 109.712 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.74 72.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.683 -0.635 . . . . 0.0 110.203 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -52.27 -42.03 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.685 -0.635 . . . . 0.0 110.631 -179.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.31 -36.85 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.43 -0.794 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.55 -40.78 97.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.653 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -71.93 -24.69 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.667 -0.646 . . . . 0.0 109.689 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -68.76 -39.01 80.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 109.222 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -76.29 -34.78 59.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.717 -0.614 . . . . 0.0 109.407 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.19 87.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.646 -0.659 . . . . 0.0 109.931 -179.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.95 -60.69 2.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.705 . . . . 0.0 109.685 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -85.54 42.54 0.96 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.525 -0.734 . . . . 0.0 110.951 -178.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.418 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -70.83 -53.25 9.18 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 120.949 -1.094 . . . . 0.0 109.444 179.761 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 15' ' ' SER . 38.1 Cg_endo -77.43 -28.52 5.49 Favored 'Trans proline' 0 N--CA 1.498 1.744 1 C-N-CA 125.815 4.343 . . . . 0.0 109.575 179.831 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.04 73.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.491 -0.756 . . . . 0.0 108.977 179.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 pt -138.16 33.16 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.694 -0.629 . . . . 0.0 109.652 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 t -57.38 -28.73 63.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.451 -0.781 . . . . 0.0 110.075 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -101.14 39.23 1.43 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.453 -0.779 . . . . 0.0 109.515 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.23 125.52 1.74 Allowed Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.809 -1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.668 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 t -67.92 -24.04 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.62 -0.675 . . . . 0.0 109.795 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.8 -39.08 80.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.361 -0.837 . . . . 0.0 109.909 -179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -50.41 72.17 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.516 -0.74 . . . . 0.0 109.568 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.13 -48.57 64.77 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.66 -0.65 . . . . 0.0 110.785 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.11 -36.17 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.615 -0.678 . . . . 0.0 110.102 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.75 -26.28 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.384 -0.823 . . . . 0.0 109.84 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -75.38 -44.66 43.65 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.426 -0.796 . . . . 0.0 110.101 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.2 mm -72.18 -29.37 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.44 -0.788 . . . . 0.0 109.859 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.13 -53.4 45.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 0.0 109.34 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -36.34 79.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.523 -0.736 . . . . 0.0 109.161 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.59 71.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.711 -0.618 . . . . 0.0 109.53 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.78 -25.98 60.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.623 -0.673 . . . . 0.0 109.678 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.81 -15.78 53.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.433 -0.792 . . . . 0.0 110.689 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.4 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -64.09 -52.61 54.36 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.117 -0.989 . . . . 0.0 110.219 -179.31 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 15' ' ' SER . 37.4 Cg_endo -75.89 -26.59 9.39 Favored 'Trans proline' 0 N--CA 1.5 1.874 1 C-N-CA 125.636 4.224 . . . . 0.0 109.682 -179.809 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -30.22 71.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.506 -0.746 . . . . 0.0 109.058 179.322 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 pt -137.16 27.67 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.533 -0.73 . . . . 0.0 109.748 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 t -60.81 143.82 53.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.43 -0.794 . . . . 0.0 109.669 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -105.41 35.5 2.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.597 -0.689 . . . . 0.0 109.545 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.8 79.18 1.16 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.92 -1.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.662 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t -77.72 -15.13 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.65 -0.656 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -57.93 -30.73 66.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.066 -1.021 . . . . 0.0 109.963 -179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.07 65.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.475 -0.766 . . . . 0.0 109.593 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.64 76.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.711 -0.618 . . . . 0.0 110.252 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.1 t -51.33 -33.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.545 -0.722 . . . . 0.0 110.937 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mt -71.44 -38.25 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.359 -0.838 . . . . 0.0 109.627 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -64.48 -36.66 84.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.538 -0.726 . . . . 0.0 109.679 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 9' ' ' ILE . 39.5 mm -79.55 -24.09 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.508 -0.745 . . . . 0.0 109.871 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -40.65 73.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.414 -0.804 . . . . 0.0 109.164 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.46 -34.88 41.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.644 -0.66 . . . . 0.0 109.372 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.42 95.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.545 -0.722 . . . . 0.0 109.91 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.73 39.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.59 -0.693 . . . . 0.0 110.468 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mt -81.96 -22.59 36.58 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.338 -0.851 . . . . 0.0 110.724 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -54.52 31.29 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.322 -0.861 . . . . 0.0 110.091 -179.324 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -76.43 -22.12 12.68 Favored 'Trans proline' 0 N--CA 1.5 1.881 1 C-N-CA 125.834 4.356 . . . . 0.0 110.049 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.24 -26.86 61.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.433 -0.792 . . . . 0.0 109.764 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.6 tt -103.3 -16.44 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.417 -0.802 . . . . 0.0 110.44 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -58.72 144.93 42.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.135 -0.978 . . . . 0.0 109.841 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -99.26 34.15 2.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.522 -0.736 . . . . 0.0 109.578 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.86 95.84 1.99 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.871 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.617 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.3 t -75.11 -24.6 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.547 -0.721 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -37.55 86.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 109.692 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.24 64.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.456 -0.778 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.59 72.55 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.574 -0.704 . . . . 0.0 110.625 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.2 t -53.23 -51.76 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.563 -0.711 . . . . 0.0 110.671 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 mm -62.68 -26.99 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.0 109.876 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.67 -38.18 80.19 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.378 -0.826 . . . . 0.0 109.718 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mt -80.6 -23.67 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.686 -0.634 . . . . 0.0 109.949 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -70.0 -44.45 69.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.212 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -77.22 -37.18 53.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.619 -0.676 . . . . 0.0 109.299 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.62 68.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.806 -0.559 . . . . 0.0 109.981 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.45 -31.9 26.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.526 -0.734 . . . . 0.0 110.341 -179.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.41 -20.79 39.71 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.493 -0.754 . . . . 0.0 110.683 -179.082 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -55.59 36.02 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.215 -0.928 . . . . 0.0 110.1 -179.445 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HA ' ' OG1' ' A' ' 19' ' ' THR . 37.9 Cg_endo -75.71 -27.54 8.81 Favored 'Trans proline' 0 N--CA 1.501 1.93 1 C-N-CA 125.913 4.408 . . . . 0.0 109.901 -179.699 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -32.81 71.38 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.598 -0.689 . . . . 0.0 109.307 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.1 mt -143.13 42.7 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.553 -0.717 . . . . 0.0 109.537 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -60.21 -61.22 2.77 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.32 -0.862 . . . . 0.0 109.373 179.84 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -100.84 33.6 2.75 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.613 -0.68 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.85 174.17 44.12 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.843 -1.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p -73.68 -33.76 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.596 -0.69 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -43.12 87.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.468 -0.77 . . . . 0.0 109.064 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.03 -49.01 76.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.606 -0.684 . . . . 0.0 109.465 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.04 64.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.702 -0.624 . . . . 0.0 110.879 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.39 -51.37 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.65 -0.656 . . . . 0.0 110.233 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.94 -25.88 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.488 -0.758 . . . . 0.0 109.701 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -66.79 -42.23 86.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.85 . . . . 0.0 109.429 -179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -67.56 -30.67 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.618 -0.676 . . . . 0.0 109.288 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -46.67 87.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.576 -0.703 . . . . 0.0 109.129 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.31 -36.12 82.65 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.31 76.49 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.838 -0.539 . . . . 0.0 109.847 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.48 74.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.536 -0.727 . . . . 0.0 109.376 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.73 -13.97 55.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.668 -0.645 . . . . 0.0 110.456 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.54 -54.04 60.11 Favored Pre-proline 0 N--CA 1.498 1.926 0 O-C-N 121.065 -1.022 . . . . 0.0 110.324 -179.253 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -75.65 -24.2 12.05 Favored 'Trans proline' 0 N--CA 1.499 1.831 1 C-N-CA 125.702 4.268 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.68 66.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.456 -0.777 . . . . 0.0 109.53 179.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 pt -91.58 -29.37 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.43 -0.794 . . . . 0.0 109.705 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -96.02 165.97 12.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.499 -0.751 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -99.24 32.76 2.62 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.527 -0.733 . . . . 0.0 109.524 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.77 95.19 0.19 Allowed Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.849 -1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.599 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 p -78.19 -42.42 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.511 -0.743 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.08 -35.24 59.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.605 -0.684 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.24 73.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.628 -0.67 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.83 73.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.796 -0.565 . . . . 0.0 110.903 -179.591 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.1 t -52.7 -56.74 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.028 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.47 -23.67 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.48 -0.762 . . . . 0.0 109.465 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -37.17 85.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.133 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.4 mt -73.0 -31.8 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.33 -47.4 82.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.673 -0.642 . . . . 0.0 109.502 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -33.81 73.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -39.37 80.36 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.652 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.85 -56.47 15.14 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -84.93 13.77 5.61 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.601 -0.687 . . . . 0.0 111.004 -179.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -56.13 -50.93 84.58 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 120.892 -1.13 . . . . 0.0 110.57 -179.742 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 15' ' ' SER . 39.0 Cg_endo -78.83 -20.9 10.09 Favored 'Trans proline' 0 N--CA 1.5 1.905 1 C-N-CA 125.821 4.348 . . . . 0.0 110.326 -179.832 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.42 -24.56 46.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.303 -0.873 . . . . 0.0 110.055 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.7 mt -90.55 -45.51 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.371 -0.83 . . . . 0.0 109.796 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 t -61.99 170.96 1.89 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.503 -0.748 . . . . 0.0 109.869 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.06 39.32 1.5 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.596 -0.69 . . . . 0.0 109.14 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.14 -37.22 0.96 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.914 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.589 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.61 -28.12 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.498 -0.752 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -35.51 77.15 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.484 -0.76 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.82 72.28 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.568 -0.707 . . . . 0.0 109.675 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.35 75.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 110.258 -179.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.72 -33.02 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.667 -0.646 . . . . 0.0 110.37 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 7' ' ' ILE . 48.7 mm -73.68 -34.0 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.87 -37.85 87.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.483 -0.76 . . . . 0.0 109.497 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -80.17 -25.0 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.552 -0.718 . . . . 0.0 109.76 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -67.74 -44.72 76.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.4 -0.813 . . . . 0.0 109.245 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -36.21 75.3 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.91 86.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.582 -0.699 . . . . 0.0 109.823 -179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.46 -22.7 37.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.23 -179.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.0 5.79 20.95 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.415 -0.803 . . . . 0.0 110.866 -179.21 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -55.84 7.81 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.889 -1.132 . . . . 0.0 109.694 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -77.34 -24.85 8.92 Favored 'Trans proline' 0 N--CA 1.499 1.838 1 C-N-CA 125.779 4.319 . . . . 0.0 109.649 179.282 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.7 77.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.503 -0.748 . . . . 0.0 109.379 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.5 mt -82.0 -37.42 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.573 -0.705 . . . . 0.0 109.264 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -23.08 65.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.654 -0.654 . . . . 0.0 110.045 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -96.67 37.15 1.3 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.295 -0.878 . . . . 0.0 109.786 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.82 83.19 0.12 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.797 -2.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.678 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.2 t -74.68 -30.22 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.575 -0.703 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.99 -30.77 70.48 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.493 -0.754 . . . . 0.0 109.542 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 -50.59 67.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.668 -0.645 . . . . 0.0 109.363 179.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.15 66.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.63 -0.669 . . . . 0.0 110.485 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 t -54.1 -45.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.655 -0.653 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -63.99 -31.02 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -44.34 96.76 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.22 -30.08 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.441 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.24 -42.74 99.59 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.72 -34.03 77.24 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.2 -27.25 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.747 -0.596 . . . . 0.0 109.395 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.59 -47.22 49.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.755 -179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -81.88 -0.92 45.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.535 -0.728 . . . . 0.0 110.868 -179.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -57.46 24.79 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 120.992 -1.068 . . . . 0.0 109.746 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -72.17 -18.73 26.81 Favored 'Trans proline' 0 N--CA 1.503 2.03 1 C-N-CA 125.802 4.335 . . . . 0.0 110.178 179.759 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.19 -23.88 40.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.319 -0.863 . . . . 0.0 109.862 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 pt -142.86 32.25 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.265 -0.897 . . . . 0.0 110.484 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -54.86 -24.52 23.59 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.217 -0.927 . . . . 0.0 110.317 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.46 37.27 1.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 109.659 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.7 57.96 2.22 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.591 -1.403 . . . . 0.0 109.591 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.829 -1.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.644 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p -64.26 -40.11 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.536 -0.728 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 pp -59.85 -32.28 70.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.003 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.45 -51.54 69.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.423 -0.798 . . . . 0.0 109.765 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.65 -50.05 69.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.62 -0.675 . . . . 0.0 110.415 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -53.0 -32.25 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.648 -0.658 . . . . 0.0 110.703 -179.424 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 mt -67.86 -41.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.431 -0.793 . . . . 0.0 109.273 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -42.64 99.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.539 -0.726 . . . . 0.0 109.217 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -68.22 -27.07 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -46.14 84.57 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.586 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.76 -36.89 85.76 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.18 -25.04 65.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.63 -42.9 70.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.41 -0.806 . . . . 0.0 109.393 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.9 mm? -80.7 81.24 7.0 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.434 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -78.52 -49.57 1.72 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.604 -0.685 . . . . 0.0 110.605 -179.693 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 15' ' ' SER . 37.7 Cg_endo -76.76 -24.29 10.27 Favored 'Trans proline' 0 N--CA 1.499 1.831 1 C-N-CA 125.585 4.19 . . . . 0.0 110.036 -179.764 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.29 -46.03 52.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.437 -0.79 . . . . 0.0 109.016 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.7 pt -66.98 -31.89 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.618 -0.676 . . . . 0.0 109.301 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.0 p -67.78 -169.62 0.13 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.595 -0.69 . . . . 0.0 109.39 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -96.89 37.29 1.31 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.501 -0.749 . . . . 0.0 109.599 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.7 64.7 0.58 Allowed Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.886 -1.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.463 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.2 mm? -59.24 -39.35 82.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.566 -0.709 . . . . 0.0 109.691 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.79 76.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.494 -0.754 . . . . 0.0 109.681 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.13 67.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.737 -0.602 . . . . 0.0 110.528 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 t -54.11 -41.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.632 -0.667 . . . . 0.0 110.694 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -67.0 -31.81 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.374 -0.829 . . . . 0.0 109.535 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.94 89.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.495 -0.753 . . . . 0.0 109.721 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.4 mt -72.19 -30.04 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.51 -0.744 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.1 -42.7 99.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.11 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.58 -39.22 77.44 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.82 69.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.787 -0.571 . . . . 0.0 109.819 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.677 . . . . 0.0 110.222 -179.625 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.75 -31.94 72.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.62 69.38 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.66 -0.65 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -50.24 69.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.644 -0.66 . . . . 0.0 110.687 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 t -53.61 -51.25 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.465 -0.772 . . . . 0.0 110.613 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 mt -61.09 -28.17 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.427 -0.795 . . . . 0.0 109.734 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -38.71 85.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.53 -0.731 . . . . 0.0 109.605 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mt -68.45 -32.96 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.602 -0.686 . . . . 0.0 109.421 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -62.93 -40.46 97.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.488 -0.757 . . . . 0.0 109.209 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.51 -34.57 72.46 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.71 -34.9 69.94 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.725 -0.609 . . . . 0.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.577 -0.702 . . . . 0.0 109.347 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -30.84 65.41 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.518 -0.739 . . . . 0.0 109.925 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.76 72.35 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.434 -0.791 . . . . 0.0 109.469 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.61 73.27 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.721 -0.612 . . . . 0.0 110.198 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.22 -44.59 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.71 -0.619 . . . . 0.0 110.468 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.14 -34.28 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.497 -0.752 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -38.99 87.65 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.472 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -69.3 -31.32 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -43.53 98.43 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -65.76 -39.09 90.71 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.9 70.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.759 -0.588 . . . . 0.0 109.635 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.647 -0.658 . . . . 0.0 109.588 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -34.0 77.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.54 -0.725 . . . . 0.0 109.083 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.51 74.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.581 -0.7 . . . . 0.0 109.477 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.07 -48.21 64.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.735 -0.603 . . . . 0.0 110.632 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -54.95 -46.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 0.0 110.41 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.98 -28.24 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.396 -0.815 . . . . 0.0 109.455 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.07 -41.68 90.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.573 -0.705 . . . . 0.0 109.363 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.29 -30.56 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.28 -52.1 63.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.525 -0.734 . . . . 0.0 109.539 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.86 -33.62 76.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.619 -0.676 . . . . 0.0 109.206 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.53 -24.24 67.07 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.786 -0.571 . . . . 0.0 109.935 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 0.0 109.721 -179.856 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 t . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -31.37 72.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.565 -0.71 . . . . 0.0 109.288 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.61 71.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.611 -0.681 . . . . 0.0 109.692 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.52 -48.88 71.41 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.697 -0.627 . . . . 0.0 110.605 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.69 -54.17 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.506 -0.747 . . . . 0.0 110.523 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm -61.29 -26.85 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.411 -0.806 . . . . 0.0 109.78 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -41.58 91.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.3 mt -67.66 -31.84 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.86 -49.54 74.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.582 -0.699 . . . . 0.0 109.405 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -33.63 76.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.67 -0.643 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.13 91.29 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.699 . . . . 0.0 109.884 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.544 -0.723 . . . . 0.0 109.549 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.492 1.675 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.84 -30.51 71.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.505 -0.747 . . . . 0.0 109.603 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.52 -52.13 66.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.475 -0.766 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.73 73.94 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.307 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -54.53 -41.3 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.683 -0.635 . . . . 0.0 110.63 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -70.56 -29.16 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 109.464 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.33 -43.4 86.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.55 -29.16 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.737 . . . . 0.0 109.569 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -44.68 92.51 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.557 -0.714 . . . . 0.0 109.121 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.66 -36.58 84.09 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.86 80.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.718 -0.613 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.537 -0.727 . . . . 0.0 110.053 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.41 -35.5 77.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.519 -0.738 . . . . 0.0 109.712 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -51.18 69.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.9 74.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.719 -0.613 . . . . 0.0 110.454 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.37 -29.69 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.595 -0.691 . . . . 0.0 110.727 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.34 -34.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.34 -0.85 . . . . 0.0 109.425 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.78 -36.64 80.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -79.23 -32.85 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.437 -0.79 . . . . 0.0 109.603 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.52 -43.5 96.99 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -34.38 77.77 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.15 89.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.655 -0.653 . . . . 0.0 109.723 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.583 -0.698 . . . . 0.0 110.449 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.97 -33.39 75.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.583 -0.698 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.98 71.83 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.474 -0.766 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.31 67.92 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.628 -0.67 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.9 t -52.63 -39.84 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.717 -0.614 . . . . 0.0 110.457 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -64.62 -37.63 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.376 -0.828 . . . . 0.0 109.268 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.02 -39.26 89.08 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.548 -0.72 . . . . 0.0 109.278 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.9 mt -70.56 -30.1 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -63.26 -37.12 86.02 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -35.06 64.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.73 89.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.738 -0.601 . . . . 0.0 109.726 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.548 -0.72 . . . . 0.0 109.802 179.729 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -28.62 62.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.565 -0.71 . . . . 0.0 109.511 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.16 -52.13 65.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.552 -0.717 . . . . 0.0 109.627 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.11 77.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.693 -0.63 . . . . 0.0 110.32 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 2' ' ' VAL . 41.0 t -52.46 -44.43 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.604 -0.685 . . . . 0.0 110.767 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.1 -29.69 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.418 -0.802 . . . . 0.0 109.676 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.95 -35.93 81.96 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.595 -0.691 . . . . 0.0 109.414 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mt -79.08 -28.43 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 109.56 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -39.08 85.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.492 -0.755 . . . . 0.0 109.409 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.43 -35.14 35.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.6 -0.687 . . . . 0.0 109.589 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.15 85.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.687 -0.633 . . . . 0.0 109.934 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.775 0 O-C-N 121.561 -0.712 . . . . 0.0 110.081 -179.333 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -39.25 93.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.571 -0.706 . . . . 0.0 109.371 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -61.21 -50.29 73.71 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.617 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.8 -50.31 61.02 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.663 -0.648 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.36 -34.55 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.613 -0.679 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 4' ' ' ALA . 29.8 mt -71.0 -32.2 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.42 -0.8 . . . . 0.0 109.672 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.18 -38.85 78.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.495 -0.753 . . . . 0.0 109.545 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.46 -27.7 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 109.699 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -67.01 -46.91 73.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 109.042 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.18 -35.24 79.65 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.72 31.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.756 -0.59 . . . . 0.0 109.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.576 -0.702 . . . . 0.0 110.999 -179.585 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 3' ' ' LEU . 2.9 mm? -62.22 -29.01 70.09 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.636 -0.665 . . . . 0.0 109.627 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.73 69.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.474 -0.766 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.98 73.94 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.666 -0.646 . . . . 0.0 110.442 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.1 t -52.39 -52.24 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.548 -0.72 . . . . 0.0 110.736 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.45 -27.94 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.479 -0.763 . . . . 0.0 109.613 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -64.1 -44.42 92.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.483 -0.761 . . . . 0.0 109.692 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.5 mm -74.29 -27.12 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.523 -0.736 . . . . 0.0 109.938 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.408 -0.807 . . . . 0.0 109.402 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -35.15 69.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.62 -0.675 . . . . 0.0 109.203 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.81 84.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.559 -0.713 . . . . 0.0 109.846 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.76 -31.84 73.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.587 -0.696 . . . . 0.0 109.134 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.88 76.19 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.552 -0.717 . . . . 0.0 109.538 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.9 66.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.665 -0.647 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.18 -41.18 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.756 -0.59 . . . . 0.0 110.088 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -64.28 -32.62 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.38 -0.825 . . . . 0.0 109.049 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -41.33 98.25 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -70.91 -28.66 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -45.86 91.69 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.501 -0.749 . . . . 0.0 109.164 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.5 -35.09 79.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.0 69.84 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.523 -0.735 . . . . 0.0 109.685 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.39 -30.19 71.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.538 -0.726 . . . . 0.0 109.396 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.7 69.24 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.89 -50.97 67.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.68 -0.637 . . . . 0.0 110.674 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -55.76 -45.79 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.524 -0.735 . . . . 0.0 110.555 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.51 -28.26 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.431 -0.793 . . . . 0.0 109.588 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -37.68 81.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.576 -0.703 . . . . 0.0 109.329 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.17 -31.1 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.588 -0.695 . . . . 0.0 109.48 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.38 -47.44 82.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.601 -0.687 . . . . 0.0 109.233 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.43 -37.88 83.72 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -25.48 67.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.716 -0.615 . . . . 0.0 110.055 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.849 . . . . 0.0 110.214 -179.252 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 40.0 t . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -71.89 -28.42 63.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -50.78 53.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.532 -0.73 . . . . 0.0 109.411 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.28 -49.45 77.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.81 -0.556 . . . . 0.0 110.42 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 41.0 t -56.01 -45.2 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.625 -0.672 . . . . 0.0 110.415 -179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 3' ' ' LEU . 29.3 mt -69.21 -24.33 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.429 -0.794 . . . . 0.0 109.841 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -38.48 71.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.614 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.7 mm -76.65 -30.26 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.722 . . . . 0.0 109.554 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -40.95 98.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.706 . . . . 0.0 109.43 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.16 -35.35 56.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.583 -0.698 . . . . 0.0 109.385 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.69 -34.59 73.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.54 -0.725 . . . . 0.0 109.816 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.02 -33.17 74.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.651 -0.655 . . . . 0.0 109.687 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.55 -52.33 65.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.423 -0.798 . . . . 0.0 109.694 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.77 67.77 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 0.0 110.626 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.98 -33.98 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.594 -0.691 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 4' ' ' ALA . 33.5 mt -72.78 -34.87 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.364 -0.835 . . . . 0.0 109.736 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -37.82 86.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.527 -0.733 . . . . 0.0 109.373 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.51 -28.59 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.557 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.29 -41.29 94.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.516 -0.74 . . . . 0.0 109.291 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -35.91 62.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.578 -0.701 . . . . 0.0 109.149 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.87 74.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.513 -0.742 . . . . 0.0 109.503 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.653 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.5 -32.77 74.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.606 -0.684 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.54 69.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.422 -0.799 . . . . 0.0 109.781 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.8 73.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.644 -0.66 . . . . 0.0 110.259 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -53.88 -37.68 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.754 -0.591 . . . . 0.0 110.597 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -73.14 -31.25 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.37 -0.831 . . . . 0.0 109.564 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -36.0 81.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.47 -0.769 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.08 -30.62 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.631 -0.668 . . . . 0.0 109.537 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -63.39 -45.61 90.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.5 -36.53 79.04 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.17 68.18 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.775 -0.578 . . . . 0.0 109.937 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.468 -0.77 . . . . 0.0 109.909 -179.726 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.5 mm? -61.71 -31.38 71.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.618 -0.676 . . . . 0.0 109.483 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.16 71.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.644 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.81 -50.16 73.21 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.749 -0.595 . . . . 0.0 110.53 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 9' ' ' ILE . 26.0 t -53.7 -49.88 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.518 -0.739 . . . . 0.0 110.491 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.79 -28.52 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.4 -0.812 . . . . 0.0 109.451 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -63.97 -42.91 97.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.508 -0.745 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 6' ' ' VAL . 10.1 mt -65.42 -31.22 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -45.63 92.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.59 -0.694 . . . . 0.0 109.408 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.19 -34.41 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.565 -0.709 . . . . 0.0 109.287 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -32.22 66.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.676 -0.64 . . . . 0.0 109.973 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.626 -0.671 . . . . 0.0 109.376 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -33.97 75.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.458 -0.776 . . . . 0.0 109.671 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.14 66.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.539 -0.726 . . . . 0.0 109.995 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.98 70.41 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.559 -0.713 . . . . 0.0 110.41 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -50.96 -40.33 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.544 -0.722 . . . . 0.0 110.77 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.2 -37.94 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.384 -0.822 . . . . 0.0 109.377 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -61.84 -36.42 81.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.608 -0.683 . . . . 0.0 109.681 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.39 -30.17 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.671 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.35 -34.72 61.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.571 -0.705 . . . . 0.0 109.271 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.0 81.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.583 -0.698 . . . . 0.0 109.92 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.6 -0.688 . . . . 0.0 109.347 179.836 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -35.11 78.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.536 -0.727 . . . . 0.0 109.597 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.8 71.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . 0.0 109.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.08 70.75 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.616 -0.677 . . . . 0.0 110.188 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -55.03 -35.24 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.722 -0.611 . . . . 0.0 110.474 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.56 -32.47 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.787 . . . . 0.0 109.82 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.9 -37.48 79.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.521 -0.737 . . . . 0.0 109.644 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.23 -29.61 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.626 -0.672 . . . . 0.0 109.544 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -51.95 57.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.587 -0.695 . . . . 0.0 109.18 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.18 -36.12 83.03 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.576 -0.702 . . . . 0.0 109.276 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.654 -0.654 . . . . 0.0 109.787 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.495 -0.753 . . . . 0.0 109.949 -179.741 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 6' ' ' VAL . 33.9 t . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -35.44 75.64 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.803 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.564 -0.71 . . . . 0.0 109.649 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.39 -50.18 62.97 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.667 -0.646 . . . . 0.0 110.95 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 2' ' ' VAL . 22.9 t -54.59 -54.44 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.486 -0.759 . . . . 0.0 110.614 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.6 mm -60.79 -23.56 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.804 . . . . 0.0 109.972 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.43 -39.63 67.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.414 -0.804 . . . . 0.0 109.969 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.77 -36.74 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.581 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.89 -42.11 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.516 -0.74 . . . . 0.0 109.281 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.46 -35.24 77.29 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.13 83.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.72 -0.612 . . . . 0.0 109.78 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.604 -0.685 . . . . 0.0 109.696 -179.986 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.24 -31.98 73.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.592 -0.693 . . . . 0.0 109.516 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.01 71.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.565 -0.71 . . . . 0.0 109.775 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.9 -49.69 68.01 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.625 -0.672 . . . . 0.0 110.597 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.413 ' HA ' HD12 ' A' ' 9' ' ' ILE . 24.0 t -52.75 -47.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.62 -0.675 . . . . 0.0 110.629 -179.262 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.75 -32.19 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.398 -0.814 . . . . 0.0 109.683 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.14 -44.34 92.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.472 -0.767 . . . . 0.0 109.432 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 6' ' ' VAL . 19.7 mt -63.7 -29.61 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.566 -0.709 . . . . 0.0 109.163 179.676 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -62.63 -45.75 91.43 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.468 -0.77 . . . . 0.0 109.165 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.94 -35.67 81.9 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.03 -28.26 69.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.725 -0.61 . . . . 0.0 109.584 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.462 -0.773 . . . . 0.0 109.924 -179.762 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 6' ' ' VAL . 23.3 t . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -35.48 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.572 -0.705 . . . . 0.0 109.567 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.32 -52.0 67.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 109.712 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.74 72.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.683 -0.635 . . . . 0.0 110.203 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 2' ' ' VAL . 26.0 t -52.27 -42.03 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.685 -0.635 . . . . 0.0 110.631 -179.463 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 4' ' ' ALA . 36.8 mt -63.31 -36.85 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.43 -0.794 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.55 -40.78 97.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.653 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -71.93 -24.69 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.667 -0.646 . . . . 0.0 109.689 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -68.76 -39.01 80.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 109.222 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -76.29 -34.78 59.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.717 -0.614 . . . . 0.0 109.407 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.19 87.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.646 -0.659 . . . . 0.0 109.931 -179.636 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.705 . . . . 0.0 109.685 -179.693 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.0 mp -58.8 -39.08 80.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.361 -0.837 . . . . 0.0 109.909 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -50.41 72.17 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.516 -0.74 . . . . 0.0 109.568 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.13 -48.57 64.77 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.66 -0.65 . . . . 0.0 110.785 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.11 -36.17 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.615 -0.678 . . . . 0.0 110.102 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.75 -26.28 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.384 -0.823 . . . . 0.0 109.84 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -75.38 -44.66 43.65 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.426 -0.796 . . . . 0.0 110.101 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.2 mm -72.18 -29.37 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.44 -0.788 . . . . 0.0 109.859 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.13 -53.4 45.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 0.0 109.34 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -36.34 79.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.523 -0.736 . . . . 0.0 109.161 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.59 71.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.711 -0.618 . . . . 0.0 109.53 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.623 -0.673 . . . . 0.0 109.678 179.991 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 3' ' ' LEU . 2.1 mm? -57.93 -30.73 66.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.066 -1.021 . . . . 0.0 109.963 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.07 65.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.475 -0.766 . . . . 0.0 109.593 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.64 76.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.711 -0.618 . . . . 0.0 110.252 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.1 t -51.33 -33.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.545 -0.722 . . . . 0.0 110.937 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mt -71.44 -38.25 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.359 -0.838 . . . . 0.0 109.627 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -64.48 -36.66 84.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.538 -0.726 . . . . 0.0 109.679 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mm -79.55 -24.09 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.508 -0.745 . . . . 0.0 109.871 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -40.65 73.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.414 -0.804 . . . . 0.0 109.164 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.46 -34.88 41.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.644 -0.66 . . . . 0.0 109.372 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.42 95.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.545 -0.722 . . . . 0.0 109.91 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.59 -0.693 . . . . 0.0 110.468 -179.495 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 29.3 t . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -37.55 86.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 109.692 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.24 64.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.456 -0.778 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.59 72.55 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.574 -0.704 . . . . 0.0 110.625 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 45.2 t -53.23 -51.76 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.563 -0.711 . . . . 0.0 110.671 -179.111 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 mm -62.68 -26.99 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.0 109.876 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.67 -38.18 80.19 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.378 -0.826 . . . . 0.0 109.718 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mt -80.6 -23.67 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.686 -0.634 . . . . 0.0 109.949 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -70.0 -44.45 69.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.212 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -77.22 -37.18 53.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.619 -0.676 . . . . 0.0 109.299 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.62 68.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.806 -0.559 . . . . 0.0 109.981 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.526 -0.734 . . . . 0.0 110.341 -179.037 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 10.9 p . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -43.12 87.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.468 -0.77 . . . . 0.0 109.064 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.03 -49.01 76.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.606 -0.684 . . . . 0.0 109.465 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.04 64.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.702 -0.624 . . . . 0.0 110.879 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 45.5 t -54.39 -51.37 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.65 -0.656 . . . . 0.0 110.233 -179.351 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.94 -25.88 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.488 -0.758 . . . . 0.0 109.701 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -66.79 -42.23 86.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.85 . . . . 0.0 109.429 -179.866 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -67.56 -30.67 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.618 -0.676 . . . . 0.0 109.288 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -46.67 87.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.576 -0.703 . . . . 0.0 109.129 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.31 -36.12 82.65 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.406 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.31 76.49 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.838 -0.539 . . . . 0.0 109.847 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.536 -0.727 . . . . 0.0 109.376 179.945 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.5 p . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.451 ' N ' HG13 ' A' ' 2' ' ' VAL . 3.1 tp -76.08 -35.24 59.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.605 -0.684 . . . . 0.0 109.353 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.24 73.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.628 -0.67 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.83 73.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.796 -0.565 . . . . 0.0 110.903 -179.591 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 2' ' ' VAL . 34.1 t -52.7 -56.74 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.028 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.47 -23.67 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.48 -0.762 . . . . 0.0 109.465 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -37.17 85.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.133 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.4 mt -73.0 -31.8 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.33 -47.4 82.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.673 -0.642 . . . . 0.0 109.502 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -33.81 73.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -39.37 80.36 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.652 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.681 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -35.51 77.15 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.484 -0.76 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.82 72.28 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.568 -0.707 . . . . 0.0 109.675 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.35 75.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 110.258 -179.848 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.72 -33.02 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.667 -0.646 . . . . 0.0 110.37 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.7 mm -73.68 -34.0 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.87 -37.85 87.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.483 -0.76 . . . . 0.0 109.497 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -80.17 -25.0 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.552 -0.718 . . . . 0.0 109.76 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -67.74 -44.72 76.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.4 -0.813 . . . . 0.0 109.245 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -36.21 75.3 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.91 86.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.582 -0.699 . . . . 0.0 109.823 -179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.23 -179.59 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.99 -30.77 70.48 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.493 -0.754 . . . . 0.0 109.542 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 -50.59 67.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.668 -0.645 . . . . 0.0 109.363 179.853 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.15 66.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.63 -0.669 . . . . 0.0 110.485 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 t -54.1 -45.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.655 -0.653 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -63.99 -31.02 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -44.34 96.76 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.22 -30.08 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.441 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.24 -42.74 99.59 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.72 -34.03 77.24 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.2 -27.25 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.747 -0.596 . . . . 0.0 109.395 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.755 -179.855 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 3' ' ' LEU . 10.2 p . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 4' ' ' ALA . 2.8 pp -59.85 -32.28 70.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.003 -179.757 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.824 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -59.45 -51.54 69.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.423 -0.798 . . . . 0.0 109.765 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.65 -50.05 69.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.62 -0.675 . . . . 0.0 110.415 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' A' ' 9' ' ' ILE . 24.6 t -53.0 -32.25 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.648 -0.658 . . . . 0.0 110.703 -179.424 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 4' ' ' ALA . 23.9 mt -67.86 -41.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.431 -0.793 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -42.64 99.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.539 -0.726 . . . . 0.0 109.217 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 6' ' ' VAL . 18.3 mt -68.22 -27.07 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.676 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -46.14 84.57 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.586 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.76 -36.89 85.76 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.18 -25.04 65.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.41 -0.806 . . . . 0.0 109.393 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.625 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.57 -30.35 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.572 -0.705 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.463 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.2 mm? -59.24 -39.35 82.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.566 -0.709 . . . . 0.0 109.691 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.79 76.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.494 -0.754 . . . . 0.0 109.681 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.13 67.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.737 -0.602 . . . . 0.0 110.528 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 t -54.11 -41.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.632 -0.667 . . . . 0.0 110.694 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -67.0 -31.81 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.374 -0.829 . . . . 0.0 109.535 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.94 89.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.495 -0.753 . . . . 0.0 109.721 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.4 mt -72.19 -30.04 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.51 -0.744 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.1 -42.7 99.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.11 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.58 -39.22 77.44 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.82 69.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.787 -0.571 . . . . 0.0 109.819 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.64 -23.12 37.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.677 . . . . 0.0 110.222 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -81.51 -3.97 54.63 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.402 -0.811 . . . . 0.0 110.795 -179.317 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -77.62 -53.28 1.57 Allowed Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.012 -1.055 . . . . 0.0 109.749 -179.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 39.4 Cg_endo -79.16 -21.86 8.9 Favored 'Trans proline' 0 N--CA 1.5 1.904 1 C-N-CA 125.891 4.394 . . . . 0.0 110.211 179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.7 -34.61 34.49 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.341 -0.849 . . . . 0.0 110.115 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 14' ' ' LEU . 1.9 tp -77.67 -39.88 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.401 -0.812 . . . . 0.0 109.792 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.404 ' N ' HG23 ' A' ' 18' ' ' ILE . 5.8 t -61.55 151.37 33.27 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.483 -0.76 . . . . 0.0 109.75 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -103.2 29.09 5.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.548 -0.72 . . . . 0.0 109.391 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.2 -113.65 2.12 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.804 -1.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.651 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.13 -32.48 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.597 -0.689 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.75 -31.94 72.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.62 69.38 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.66 -0.65 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -50.24 69.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.644 -0.66 . . . . 0.0 110.687 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 t -53.61 -51.25 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.465 -0.772 . . . . 0.0 110.613 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 mt -61.09 -28.17 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.427 -0.795 . . . . 0.0 109.734 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -38.71 85.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.53 -0.731 . . . . 0.0 109.605 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mt -68.45 -32.96 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.602 -0.686 . . . . 0.0 109.421 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -62.93 -40.46 97.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.488 -0.757 . . . . 0.0 109.209 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.51 -34.57 72.46 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.71 -34.9 69.94 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.725 -0.609 . . . . 0.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.28 -42.31 55.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.577 -0.702 . . . . 0.0 109.347 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.712 ' HG ' ' HB3' ' A' ' 17' ' ' ALA . 2.9 tp -84.52 11.61 8.41 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.547 -0.72 . . . . 0.0 110.897 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.811 ' O ' HG23 ' A' ' 19' ' ' THR . 0.4 OUTLIER -57.07 -51.28 82.82 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.94 -1.1 . . . . 0.0 110.581 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 15' ' ' SER . 38.4 Cg_endo -77.86 -23.69 9.19 Favored 'Trans proline' 0 N--CA 1.5 1.881 1 C-N-CA 125.908 4.405 . . . . 0.0 110.37 -179.655 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.712 ' HB3' ' HG ' ' A' ' 14' ' ' LEU . . . -75.51 -25.78 57.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.417 -0.802 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.23 -22.52 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.399 -0.813 . . . . 0.0 110.145 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.811 HG23 ' O ' ' A' ' 15' ' ' SER . 14.4 p -58.83 154.67 14.49 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.246 -0.909 . . . . 0.0 109.99 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -98.55 33.91 2.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.574 -0.704 . . . . 0.0 109.447 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.56 -52.03 2.06 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.833 -1.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.689 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.18 -28.19 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.58 -0.7 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -30.84 65.41 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.518 -0.739 . . . . 0.0 109.925 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.76 72.35 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.434 -0.791 . . . . 0.0 109.469 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.61 73.27 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.721 -0.612 . . . . 0.0 110.198 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.22 -44.59 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.71 -0.619 . . . . 0.0 110.468 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.14 -34.28 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.497 -0.752 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -38.99 87.65 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.472 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -69.3 -31.32 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -43.53 98.43 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -65.76 -39.09 90.71 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.9 70.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.759 -0.588 . . . . 0.0 109.635 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -28.16 57.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.647 -0.658 . . . . 0.0 109.588 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.81 -19.94 36.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.5 -0.75 . . . . 0.0 110.762 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.407 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.5 t -57.29 -51.86 78.51 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 121.105 -0.997 . . . . 0.0 110.387 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' HA ' HG22 ' A' ' 19' ' ' THR . 37.7 Cg_endo -75.4 -28.27 8.68 Favored 'Trans proline' 0 N--CA 1.5 1.873 1 C-N-CA 125.604 4.202 . . . . 0.0 109.879 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.5 -30.2 70.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.511 -0.743 . . . . 0.0 109.381 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.8 mt -78.39 -51.93 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.603 -0.685 . . . . 0.0 109.402 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 19' ' ' THR . 7.8 t -63.12 111.51 2.24 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.435 -0.791 . . . . 0.0 109.467 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -105.01 30.12 5.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.513 -0.742 . . . . 0.0 109.732 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.55 -47.72 0.05 OUTLIER Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.898 -1.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.686 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 t -77.93 -35.59 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.647 -0.658 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -34.0 77.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.54 -0.725 . . . . 0.0 109.083 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.51 74.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.581 -0.7 . . . . 0.0 109.477 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.07 -48.21 64.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.735 -0.603 . . . . 0.0 110.632 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -54.95 -46.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 0.0 110.41 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.98 -28.24 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.396 -0.815 . . . . 0.0 109.455 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.07 -41.68 90.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.573 -0.705 . . . . 0.0 109.363 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.29 -30.56 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.28 -52.1 63.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.525 -0.734 . . . . 0.0 109.539 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.86 -33.62 76.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.619 -0.676 . . . . 0.0 109.206 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.53 -24.24 67.07 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.786 -0.571 . . . . 0.0 109.935 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.58 -42.55 42.24 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 0.0 109.721 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -81.93 -12.6 58.31 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.555 -0.716 . . . . 0.0 110.681 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.5 t -61.9 -53.77 56.94 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.035 . . . . 0.0 110.024 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 15' ' ' SER . 37.2 Cg_endo -73.48 -24.5 16.2 Favored 'Trans proline' 0 N--CA 1.502 1.98 1 C-N-CA 125.576 4.184 . . . . 0.0 110.026 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.92 -32.9 74.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.484 -0.76 . . . . 0.0 109.119 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -154.23 48.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.669 -0.644 . . . . 0.0 109.462 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 20' ' ' PHE . 6.4 t -58.69 -41.39 86.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.357 -0.84 . . . . 0.0 109.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.468 ' N ' HG23 ' A' ' 19' ' ' THR . 39.1 m-85 -103.5 37.54 1.99 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.557 -0.714 . . . . 0.0 109.52 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.9 -57.8 11.32 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.591 -1.403 . . . . 0.0 109.591 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.835 -1.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.584 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 t -76.76 -53.47 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.536 -0.727 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -31.37 72.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.565 -0.71 . . . . 0.0 109.288 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.61 71.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.611 -0.681 . . . . 0.0 109.692 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.52 -48.88 71.41 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.697 -0.627 . . . . 0.0 110.605 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.69 -54.17 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.506 -0.747 . . . . 0.0 110.523 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm -61.29 -26.85 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.411 -0.806 . . . . 0.0 109.78 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -41.58 91.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.3 mt -67.66 -31.84 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.86 -49.54 74.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.582 -0.699 . . . . 0.0 109.405 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -33.63 76.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.67 -0.643 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.13 91.29 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.699 . . . . 0.0 109.884 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.56 -29.32 67.85 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.544 -0.723 . . . . 0.0 109.549 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tp -81.19 -17.24 50.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.482 -0.761 . . . . 0.0 110.435 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -54.93 51.28 Favored Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.246 -0.909 . . . . 0.0 110.132 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -74.99 -27.11 10.31 Favored 'Trans proline' 0 N--CA 1.499 1.812 1 C-N-CA 125.746 4.297 . . . . 0.0 109.764 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.737 ' O ' HD13 ' A' ' 18' ' ' ILE . . . -65.1 -31.56 72.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.488 -0.758 . . . . 0.0 108.995 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 17' ' ' ALA . 33.2 mm -135.45 28.39 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.668 -0.645 . . . . 0.0 109.731 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 t -61.53 170.03 2.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.313 -0.867 . . . . 0.0 109.374 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -101.16 27.93 5.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.562 -0.711 . . . . 0.0 109.569 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.78 157.49 18.21 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.418 0 O-C-N 119.89 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.631 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.2 t -76.42 -66.59 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.551 -0.718 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.84 -30.51 71.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.505 -0.747 . . . . 0.0 109.603 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.52 -52.13 66.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.475 -0.766 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.73 73.94 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.307 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -54.53 -41.3 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.683 -0.635 . . . . 0.0 110.63 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -70.56 -29.16 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 109.464 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.33 -43.4 86.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.55 -29.16 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.737 . . . . 0.0 109.569 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -44.68 92.51 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.557 -0.714 . . . . 0.0 109.121 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.438 ' CZ ' ' CD1' ' A' ' 18' ' ' ILE . 2.1 t80 -65.66 -36.58 84.09 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.86 80.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.718 -0.613 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.02 -22.07 39.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.537 -0.727 . . . . 0.0 110.053 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.73 47.39 1.43 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.451 -0.781 . . . . 0.0 110.803 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -73.67 -51.45 5.31 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 109.504 179.7 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 15' ' ' SER . 38.3 Cg_endo -79.44 -25.71 5.44 Favored 'Trans proline' 0 N--CA 1.498 1.752 1 C-N-CA 125.895 4.397 . . . . 0.0 109.608 179.685 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.56 84.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.479 -0.763 . . . . 0.0 109.322 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 58.9 mt -95.52 -62.71 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.479 -0.763 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -70.53 -169.06 0.29 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' H ' HG22 ' A' ' 19' ' ' THR . 30.5 p90 -105.27 32.45 4.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.519 -0.738 . . . . 0.0 109.742 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.99 40.61 3.04 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.863 -1.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.636 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.5 -29.7 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.577 -0.702 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.41 -35.5 77.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.519 -0.738 . . . . 0.0 109.712 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -51.18 69.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.9 74.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.719 -0.613 . . . . 0.0 110.454 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.37 -29.69 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.595 -0.691 . . . . 0.0 110.727 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.34 -34.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.34 -0.85 . . . . 0.0 109.425 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.78 -36.64 80.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -79.23 -32.85 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.437 -0.79 . . . . 0.0 109.603 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.52 -43.5 96.99 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -34.38 77.77 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.15 89.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.655 -0.653 . . . . 0.0 109.723 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' ALA . . . -80.71 -12.45 59.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.583 -0.698 . . . . 0.0 110.449 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.55 -27.69 34.24 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.256 -0.902 . . . . 0.0 110.25 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -55.26 44.14 Favored Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.421 -0.799 . . . . 0.0 110.112 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -76.64 -14.67 17.6 Favored 'Trans proline' 0 N--CA 1.501 1.933 1 C-N-CA 125.808 4.339 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 13' ' ' ALA . . . -81.28 -30.86 33.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.231 -0.918 . . . . 0.0 110.253 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.8 mm -98.26 -35.33 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.427 -0.796 . . . . 0.0 110.244 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -61.22 119.86 9.24 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.504 -0.748 . . . . 0.0 109.819 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -104.15 32.07 4.2 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.21 102.16 2.81 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.883 -1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.614 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.1 -66.01 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.61 -0.681 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.97 -33.39 75.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.583 -0.698 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.98 71.83 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.474 -0.766 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.31 67.92 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.628 -0.67 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.9 t -52.63 -39.84 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.717 -0.614 . . . . 0.0 110.457 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -64.62 -37.63 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.376 -0.828 . . . . 0.0 109.268 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.02 -39.26 89.08 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.548 -0.72 . . . . 0.0 109.278 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.9 mt -70.56 -30.1 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -63.26 -37.12 86.02 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -35.06 64.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.73 89.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.738 -0.601 . . . . 0.0 109.726 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.37 49.94 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.548 -0.72 . . . . 0.0 109.802 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.79 -15.83 50.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.44 -0.788 . . . . 0.0 110.527 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -54.13 49.78 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.035 -1.04 . . . . 0.0 110.484 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.638 ' O ' HG22 ' A' ' 19' ' ' THR . 38.0 Cg_endo -75.47 -15.2 19.87 Favored 'Trans proline' 0 N--CA 1.501 1.947 1 C-N-CA 125.789 4.326 . . . . 0.0 110.381 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.7 -29.62 40.79 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.209 -0.932 . . . . 0.0 109.403 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 pt -107.15 -4.04 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.569 -0.707 . . . . 0.0 110.638 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 16' ' ' PRO . 5.2 t -56.06 125.82 23.26 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.05 -1.031 . . . . 0.0 110.156 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -100.99 30.64 3.97 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.702 -0.624 . . . . 0.0 109.519 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.88 -106.55 1.68 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.88 -1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.625 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.3 p -67.69 -34.12 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.61 -0.681 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -28.62 62.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.565 -0.71 . . . . 0.0 109.511 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.16 -52.13 65.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.552 -0.717 . . . . 0.0 109.627 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.11 77.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.693 -0.63 . . . . 0.0 110.32 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 2' ' ' VAL . 41.0 t -52.46 -44.43 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.604 -0.685 . . . . 0.0 110.767 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.1 -29.69 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.418 -0.802 . . . . 0.0 109.676 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.95 -35.93 81.96 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.595 -0.691 . . . . 0.0 109.414 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mt -79.08 -28.43 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 109.56 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -39.08 85.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.492 -0.755 . . . . 0.0 109.409 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.43 -35.14 35.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.6 -0.687 . . . . 0.0 109.589 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.15 85.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.687 -0.633 . . . . 0.0 109.934 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.36 -49.55 10.55 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.561 -0.712 . . . . 0.0 110.081 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD13 ' CB ' ' A' ' 17' ' ' ALA . 4.5 mm? -83.98 9.03 13.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.489 -0.757 . . . . 0.0 111.235 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -55.83 37.87 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.975 -1.078 . . . . 0.0 109.699 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -74.97 -26.03 11.35 Favored 'Trans proline' 0 N--CA 1.501 1.917 1 C-N-CA 125.777 4.318 . . . . 0.0 109.66 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' CB ' HD13 ' A' ' 14' ' ' LEU . . . -66.9 -29.72 69.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.486 -0.759 . . . . 0.0 109.321 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 18' ' ' ILE . 5.9 tt -157.38 50.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.522 -0.736 . . . . 0.0 109.659 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 t -59.76 -27.93 66.95 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.482 -0.761 . . . . 0.0 109.883 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -102.13 40.04 1.4 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.459 -0.775 . . . . 0.0 109.665 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.38 -48.04 0.02 OUTLIER Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.835 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t -73.65 -38.12 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.579 -0.701 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -39.25 93.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.571 -0.706 . . . . 0.0 109.371 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -61.21 -50.29 73.71 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.617 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.8 -50.31 61.02 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.663 -0.648 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.36 -34.55 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.613 -0.679 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 4' ' ' ALA . 29.8 mt -71.0 -32.2 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.42 -0.8 . . . . 0.0 109.672 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.18 -38.85 78.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.495 -0.753 . . . . 0.0 109.545 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.46 -27.7 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 109.699 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -67.01 -46.91 73.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 109.042 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.18 -35.24 79.65 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.72 31.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.756 -0.59 . . . . 0.0 109.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.25 5.72 19.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.576 -0.702 . . . . 0.0 110.999 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -74.24 -16.67 60.95 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.038 -1.039 . . . . 0.0 110.679 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -57.14 4.24 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.201 -0.937 . . . . 0.0 109.965 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -75.51 -24.05 12.41 Favored 'Trans proline' 0 N--CA 1.501 1.93 1 C-N-CA 125.742 4.295 . . . . 0.0 109.887 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.99 76.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.431 -0.793 . . . . 0.0 109.427 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 tt -85.79 -34.03 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.5 -0.75 . . . . 0.0 109.442 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.7 m -91.09 105.09 17.57 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.626 -0.672 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -104.65 28.12 7.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.557 -0.714 . . . . 0.0 109.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.31 52.01 5.83 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.829 -1.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.696 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.43 -32.9 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.616 -0.677 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 3' ' ' LEU . 2.9 mm? -62.22 -29.01 70.09 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.636 -0.665 . . . . 0.0 109.627 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.73 69.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.474 -0.766 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.98 73.94 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.666 -0.646 . . . . 0.0 110.442 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.1 t -52.39 -52.24 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.548 -0.72 . . . . 0.0 110.736 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.45 -27.94 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.479 -0.763 . . . . 0.0 109.613 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -64.1 -44.42 92.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.483 -0.761 . . . . 0.0 109.692 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.5 mm -74.29 -27.12 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.523 -0.736 . . . . 0.0 109.938 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.408 -0.807 . . . . 0.0 109.402 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -35.15 69.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.62 -0.675 . . . . 0.0 109.203 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.81 84.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.28 -24.38 42.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.559 -0.713 . . . . 0.0 109.846 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 mt -81.68 -16.03 52.61 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.385 -0.822 . . . . 0.0 110.477 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -54.96 51.02 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.198 -0.939 . . . . 0.0 110.016 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -74.98 -27.34 10.14 Favored 'Trans proline' 0 N--CA 1.499 1.803 1 C-N-CA 125.728 4.285 . . . . 0.0 109.585 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.58 70.57 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 tt -152.75 45.66 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.524 -0.735 . . . . 0.0 109.548 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -60.38 170.31 1.39 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.387 -0.82 . . . . 0.0 109.622 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -100.93 36.32 1.99 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.579 -0.701 . . . . 0.0 109.493 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -112.99 106.17 1.79 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.924 -1.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 p -64.03 -37.69 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.608 -0.682 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.76 -31.84 73.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.587 -0.696 . . . . 0.0 109.134 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.88 76.19 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.552 -0.717 . . . . 0.0 109.538 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.9 66.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.665 -0.647 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.18 -41.18 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.756 -0.59 . . . . 0.0 110.088 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -64.28 -32.62 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.38 -0.825 . . . . 0.0 109.049 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -41.33 98.25 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -70.91 -28.66 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -45.86 91.69 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.501 -0.749 . . . . 0.0 109.164 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.5 -35.09 79.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.0 69.84 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.75 -29.68 56.23 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.523 -0.735 . . . . 0.0 109.685 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.87 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 35.4 mt -81.63 78.59 8.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.596 -0.69 . . . . 0.0 109.626 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -79.78 -47.75 1.44 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.581 -0.7 . . . . 0.0 110.489 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 15' ' ' SER . 39.6 Cg_endo -81.08 -18.74 8.6 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 C-N-CA 125.697 4.265 . . . . 0.0 110.124 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.87 ' HB3' ' HB3' ' A' ' 14' ' ' LEU . . . -81.97 -41.93 20.11 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.372 -0.83 . . . . 0.0 110.513 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.836 HG22 ' O ' ' A' ' 14' ' ' LEU . 18.8 tt -99.24 -29.91 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.291 -0.88 . . . . 0.0 110.205 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.49 48.02 1.03 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.763 . . . . 0.0 109.367 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -104.85 31.8 4.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.524 -0.735 . . . . 0.0 109.435 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.44 -106.85 0.28 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.87 -1.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.654 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.61 -42.72 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.571 -0.705 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.39 -30.19 71.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.538 -0.726 . . . . 0.0 109.396 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.7 69.24 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.89 -50.97 67.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.68 -0.637 . . . . 0.0 110.674 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -55.76 -45.79 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.524 -0.735 . . . . 0.0 110.555 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.51 -28.26 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.431 -0.793 . . . . 0.0 109.588 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -37.68 81.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.576 -0.703 . . . . 0.0 109.329 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.17 -31.1 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.588 -0.695 . . . . 0.0 109.48 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.38 -47.44 82.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.601 -0.687 . . . . 0.0 109.233 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.413 ' HA ' HD21 ' A' ' 14' ' ' LEU . 2.0 t80 -67.43 -37.88 83.72 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -25.48 67.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.716 -0.615 . . . . 0.0 110.055 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.83 -47.97 11.29 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.849 . . . . 0.0 110.214 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 11' ' ' PHE . 3.0 pp -76.62 -4.17 41.58 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.482 -0.761 . . . . 0.0 111.335 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -76.81 -57.89 1.15 Allowed Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.047 -1.033 . . . . 0.0 109.516 -179.648 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 15' ' ' SER . 39.0 Cg_endo -76.2 -29.86 6.04 Favored 'Trans proline' 0 N--CA 1.501 1.93 1 C-N-CA 125.801 4.334 . . . . 0.0 109.572 179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 18' ' ' ILE . . . -70.18 -37.93 75.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.639 -0.663 . . . . 0.0 109.394 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 17' ' ' ALA . 23.4 pt -154.39 62.36 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.576 -0.703 . . . . 0.0 109.893 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 t -56.09 168.82 0.45 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.214 -0.929 . . . . 0.0 109.881 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -103.38 35.6 2.53 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.532 -0.73 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.76 173.01 42.5 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.922 -1.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.641 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 40.0 t -79.61 -61.18 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.63 -0.669 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -71.89 -28.42 63.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -50.78 53.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.532 -0.73 . . . . 0.0 109.411 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.28 -49.45 77.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.81 -0.556 . . . . 0.0 110.42 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 41.0 t -56.01 -45.2 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.625 -0.672 . . . . 0.0 110.415 -179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 3' ' ' LEU . 29.3 mt -69.21 -24.33 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.429 -0.794 . . . . 0.0 109.841 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -38.48 71.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.614 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.7 mm -76.65 -30.26 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.722 . . . . 0.0 109.554 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -40.95 98.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.706 . . . . 0.0 109.43 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.16 -35.35 56.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.583 -0.698 . . . . 0.0 109.385 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.69 -34.59 73.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.54 -0.725 . . . . 0.0 109.816 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.23 -34.7 55.92 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.3 mt -84.71 3.36 37.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.662 -0.649 . . . . 0.0 110.903 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.79 -53.06 69.66 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 120.944 -1.097 . . . . 0.0 110.408 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.23 -21.43 11.92 Favored 'Trans proline' 0 N--CA 1.5 1.858 1 C-N-CA 125.976 4.451 . . . . 0.0 110.151 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.76 -29.61 62.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.372 -0.83 . . . . 0.0 109.612 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 pt -97.94 -23.03 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.516 -0.74 . . . . 0.0 110.124 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -96.48 28.16 3.47 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.384 -0.823 . . . . 0.0 109.912 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -105.0 29.51 6.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.457 -0.777 . . . . 0.0 109.422 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.0 46.85 1.67 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.845 -1.974 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.664 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 t -77.9 -33.48 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.662 -0.649 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.02 -33.17 74.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.651 -0.655 . . . . 0.0 109.687 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.55 -52.33 65.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.423 -0.798 . . . . 0.0 109.694 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.77 67.77 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 0.0 110.626 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.98 -33.98 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.594 -0.691 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 4' ' ' ALA . 33.5 mt -72.78 -34.87 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.364 -0.835 . . . . 0.0 109.736 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -37.82 86.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.527 -0.733 . . . . 0.0 109.373 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.51 -28.59 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.557 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.29 -41.29 94.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.516 -0.74 . . . . 0.0 109.291 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -35.91 62.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.578 -0.701 . . . . 0.0 109.149 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.87 74.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.513 -0.742 . . . . 0.0 109.503 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -35.79 66.64 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.9 mt -85.66 13.51 6.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.69 -0.631 . . . . 0.0 111.027 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -69.99 -54.23 10.17 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.004 -1.06 . . . . 0.0 109.476 -179.761 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.689 ' O ' HG22 ' A' ' 19' ' ' THR . 39.3 Cg_endo -78.98 -29.49 3.27 Favored 'Trans proline' 0 N--CA 1.499 1.829 1 C-N-CA 125.808 4.339 . . . . 0.0 109.513 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.8 -28.17 60.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.57 -0.706 . . . . 0.0 109.563 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 18' ' ' ILE . 41.3 mm -114.73 8.63 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.535 -0.728 . . . . 0.0 110.406 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 16' ' ' PRO . 4.3 t -61.17 139.32 58.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.041 -1.037 . . . . 0.0 109.604 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -104.24 27.03 8.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.618 -0.676 . . . . 0.0 109.919 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.04 131.1 1.49 Allowed Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.861 -1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.595 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 t -70.71 -29.82 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.576 -0.702 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.5 -32.77 74.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.606 -0.684 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.54 69.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.422 -0.799 . . . . 0.0 109.781 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.8 73.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.644 -0.66 . . . . 0.0 110.259 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -53.88 -37.68 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.754 -0.591 . . . . 0.0 110.597 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -73.14 -31.25 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.37 -0.831 . . . . 0.0 109.564 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -36.0 81.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.47 -0.769 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.08 -30.62 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.631 -0.668 . . . . 0.0 109.537 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.4 t80 -63.39 -45.61 90.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.5 -36.53 79.04 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.17 68.18 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.775 -0.578 . . . . 0.0 109.937 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.1 -48.77 32.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.468 -0.77 . . . . 0.0 109.909 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 10' ' ' TYR . 2.4 mp -83.39 -5.77 59.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.502 -0.749 . . . . 0.0 110.916 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -54.5 42.0 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.041 -1.037 . . . . 0.0 109.838 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.451 ' HA ' HG22 ' A' ' 19' ' ' THR . 38.2 Cg_endo -76.22 -23.31 11.97 Favored 'Trans proline' 0 N--CA 1.501 1.913 1 C-N-CA 125.841 4.361 . . . . 0.0 110.14 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.89 64.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.42 -0.8 . . . . 0.0 109.705 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD12 ' O ' ' A' ' 14' ' ' LEU . 21.6 mt -76.12 -49.43 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.434 -0.791 . . . . 0.0 109.534 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 16' ' ' PRO . 7.3 t -61.36 163.95 6.08 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.531 -0.731 . . . . 0.0 109.713 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -104.42 32.12 4.24 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.539 -0.726 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.28 142.53 16.22 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.861 -1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.646 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.05 -33.16 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.6 -0.688 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.5 mm? -61.71 -31.38 71.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.618 -0.676 . . . . 0.0 109.483 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.16 71.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.644 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.81 -50.16 73.21 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.749 -0.595 . . . . 0.0 110.53 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 9' ' ' ILE . 26.0 t -53.7 -49.88 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.518 -0.739 . . . . 0.0 110.491 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.79 -28.52 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.4 -0.812 . . . . 0.0 109.451 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -63.97 -42.91 97.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.508 -0.745 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 6' ' ' VAL . 10.1 mt -65.42 -31.22 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -45.63 92.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.59 -0.694 . . . . 0.0 109.408 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.19 -34.41 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.565 -0.709 . . . . 0.0 109.287 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -32.22 66.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.676 -0.64 . . . . 0.0 109.973 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.77 -40.0 49.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.626 -0.671 . . . . 0.0 109.376 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.5 mm? -85.26 10.03 13.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.7 -0.625 . . . . 0.0 111.013 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -67.72 -53.42 21.7 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.99 -1.069 . . . . 0.0 110.2 -179.266 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 15' ' ' SER . 37.8 Cg_endo -76.73 -15.84 16.84 Favored 'Trans proline' 0 N--CA 1.499 1.823 1 C-N-CA 125.85 4.367 . . . . 0.0 110.522 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.1 -35.17 37.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.332 -0.855 . . . . 0.0 109.641 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 tt -81.75 -39.32 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.526 -0.734 . . . . 0.0 109.597 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.47 158.45 23.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.529 -0.732 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -102.61 30.75 4.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.522 -0.736 . . . . 0.0 109.353 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.61 -106.76 3.43 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.914 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.4 t -65.75 -28.72 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.574 -0.704 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -33.97 75.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.458 -0.776 . . . . 0.0 109.671 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.14 66.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.539 -0.726 . . . . 0.0 109.995 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.98 70.41 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.559 -0.713 . . . . 0.0 110.41 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -50.96 -40.33 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.544 -0.722 . . . . 0.0 110.77 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.2 -37.94 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.384 -0.822 . . . . 0.0 109.377 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -61.84 -36.42 81.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.608 -0.683 . . . . 0.0 109.681 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.39 -30.17 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.671 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.35 -34.72 61.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.571 -0.705 . . . . 0.0 109.271 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.0 81.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.583 -0.698 . . . . 0.0 109.92 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.09 -35.01 69.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.6 -0.688 . . . . 0.0 109.347 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HG ' ' HB3' ' A' ' 17' ' ' ALA . 7.1 tp -84.23 6.89 20.97 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.597 -0.69 . . . . 0.0 110.911 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.816 ' O ' HG23 ' A' ' 19' ' ' THR . 0.4 OUTLIER -59.43 -54.68 53.62 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.892 -1.13 . . . . 0.0 110.201 -179.423 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -75.27 -17.61 18.83 Favored 'Trans proline' 0 N--CA 1.501 1.922 1 C-N-CA 125.847 4.364 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' HG ' ' A' ' 14' ' ' LEU . . . -76.78 -31.5 57.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.338 -0.851 . . . . 0.0 109.566 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.1 3.44 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.476 -0.765 . . . . 0.0 110.751 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 15' ' ' SER . 0.8 OUTLIER -58.39 115.34 2.92 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.938 -1.101 . . . . 0.0 109.749 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.0 33.49 2.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.515 -0.74 . . . . 0.0 109.363 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.48 -78.72 0.21 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.87 -1.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.686 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.0 t -72.48 -34.78 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.618 -0.676 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -35.11 78.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.536 -0.727 . . . . 0.0 109.597 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.8 71.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . 0.0 109.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.08 70.75 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.616 -0.677 . . . . 0.0 110.188 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -55.03 -35.24 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.722 -0.611 . . . . 0.0 110.474 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.56 -32.47 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.787 . . . . 0.0 109.82 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.9 -37.48 79.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.521 -0.737 . . . . 0.0 109.644 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.23 -29.61 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.626 -0.672 . . . . 0.0 109.544 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -51.95 57.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.587 -0.695 . . . . 0.0 109.18 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.18 -36.12 83.03 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.576 -0.702 . . . . 0.0 109.276 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.654 -0.654 . . . . 0.0 109.787 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.52 -26.56 38.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.495 -0.753 . . . . 0.0 109.949 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -13.17 57.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.496 -0.753 . . . . 0.0 110.625 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -54.57 54.11 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.127 -0.983 . . . . 0.0 110.054 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -76.7 -25.16 9.58 Favored 'Trans proline' 0 N--CA 1.5 1.886 1 C-N-CA 125.78 4.32 . . . . 0.0 109.949 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.34 67.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.497 -0.752 . . . . 0.0 109.721 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.8 tt -90.91 -31.74 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.454 -0.779 . . . . 0.0 109.713 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -94.34 143.06 26.72 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.534 -0.729 . . . . 0.0 109.655 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -98.79 31.62 2.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.568 -0.708 . . . . 0.0 109.151 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.98 -128.92 1.94 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.873 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.64 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 6' ' ' VAL . 33.9 t -80.11 -46.57 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.591 -0.693 . . . . 0.0 109.491 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -35.44 75.64 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.803 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.564 -0.71 . . . . 0.0 109.649 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.39 -50.18 62.97 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.667 -0.646 . . . . 0.0 110.95 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 2' ' ' VAL . 22.9 t -54.59 -54.44 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.486 -0.759 . . . . 0.0 110.614 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.6 mm -60.79 -23.56 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.804 . . . . 0.0 109.972 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.43 -39.63 67.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.414 -0.804 . . . . 0.0 109.969 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.77 -36.74 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.581 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.89 -42.11 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.516 -0.74 . . . . 0.0 109.281 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.46 -35.24 77.29 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.13 83.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.72 -0.612 . . . . 0.0 109.78 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.17 -27.02 47.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.604 -0.685 . . . . 0.0 109.696 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.709 HD23 HD11 ' A' ' 18' ' ' ILE . 7.7 tp -85.17 10.06 13.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.499 -0.751 . . . . 0.0 111.136 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.407 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.2 t -61.32 -51.89 74.69 Favored Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.041 -1.037 . . . . 0.0 110.154 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 15' ' ' SER . 38.2 Cg_endo -77.0 -16.0 16.17 Favored 'Trans proline' 0 N--CA 1.501 1.957 1 C-N-CA 125.775 4.316 . . . . 0.0 110.503 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' HB3' ' HG ' ' A' ' 14' ' ' LEU . . . -77.48 -27.45 51.96 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 0.0 109.768 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.709 HD11 HD23 ' A' ' 14' ' ' LEU . 60.6 mt -106.7 -24.24 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.403 -0.81 . . . . 0.0 110.118 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.8 m -90.16 -55.51 3.58 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.416 -0.802 . . . . 0.0 109.592 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -96.95 28.91 3.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.504 -0.747 . . . . 0.0 109.873 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.43 -91.87 0.05 OUTLIER Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.805 -1.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.613 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t -79.96 -56.27 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.24 -31.98 73.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.592 -0.693 . . . . 0.0 109.516 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.01 71.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.565 -0.71 . . . . 0.0 109.775 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.9 -49.69 68.01 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.625 -0.672 . . . . 0.0 110.597 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.413 ' HA ' HD12 ' A' ' 9' ' ' ILE . 24.0 t -52.75 -47.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.62 -0.675 . . . . 0.0 110.629 -179.262 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.75 -32.19 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.398 -0.814 . . . . 0.0 109.683 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.14 -44.34 92.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.472 -0.767 . . . . 0.0 109.432 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 6' ' ' VAL . 19.7 mt -63.7 -29.61 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.566 -0.709 . . . . 0.0 109.163 179.676 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -62.63 -45.75 91.43 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.468 -0.77 . . . . 0.0 109.165 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.94 -35.67 81.9 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.03 -28.26 69.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.725 -0.61 . . . . 0.0 109.584 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.16 -26.2 42.75 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.462 -0.773 . . . . 0.0 109.924 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.21 -20.27 41.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.334 -0.854 . . . . 0.0 110.528 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.404 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.2 t -58.93 -54.52 55.66 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.171 -0.956 . . . . 0.0 110.056 -179.522 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 15' ' ' SER . 38.2 Cg_endo -75.05 -21.47 15.72 Favored 'Trans proline' 0 N--CA 1.502 1.999 1 C-N-CA 125.731 4.287 . . . . 0.0 110.16 179.777 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.518 ' O ' HD13 ' A' ' 18' ' ' ILE . . . -71.83 -28.88 63.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 179.765 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.606 ' O ' HG22 ' A' ' 18' ' ' ILE . 41.5 mm -127.72 16.36 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.501 -0.75 . . . . 0.0 110.359 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 t -63.74 -32.38 73.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.98 -1.075 . . . . 0.0 109.473 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -104.16 33.17 3.59 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.619 -0.676 . . . . 0.0 109.26 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.51 -163.5 10.44 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.953 -1.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.601 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 6' ' ' VAL . 23.3 t -79.46 -39.25 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.553 -0.717 . . . . 0.0 109.48 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -35.48 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.572 -0.705 . . . . 0.0 109.567 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.32 -52.0 67.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 109.712 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.74 72.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.683 -0.635 . . . . 0.0 110.203 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 2' ' ' VAL . 26.0 t -52.27 -42.03 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.685 -0.635 . . . . 0.0 110.631 -179.463 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 4' ' ' ALA . 36.8 mt -63.31 -36.85 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.43 -0.794 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.55 -40.78 97.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.653 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -71.93 -24.69 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.667 -0.646 . . . . 0.0 109.689 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -68.76 -39.01 80.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 109.222 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -76.29 -34.78 59.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.717 -0.614 . . . . 0.0 109.407 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.19 87.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.646 -0.659 . . . . 0.0 109.931 -179.636 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.95 -60.69 2.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.705 . . . . 0.0 109.685 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -85.54 42.54 0.96 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.525 -0.734 . . . . 0.0 110.951 -178.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.418 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -70.83 -53.25 9.18 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 120.949 -1.094 . . . . 0.0 109.444 179.761 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 15' ' ' SER . 38.1 Cg_endo -77.43 -28.52 5.49 Favored 'Trans proline' 0 N--CA 1.498 1.744 1 C-N-CA 125.815 4.343 . . . . 0.0 109.575 179.831 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.04 73.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.491 -0.756 . . . . 0.0 108.977 179.437 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 pt -138.16 33.16 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.694 -0.629 . . . . 0.0 109.652 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 t -57.38 -28.73 63.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.451 -0.781 . . . . 0.0 110.075 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -101.14 39.23 1.43 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.453 -0.779 . . . . 0.0 109.515 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.23 125.52 1.74 Allowed Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.809 -1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.668 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 t -67.92 -24.04 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.62 -0.675 . . . . 0.0 109.795 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.0 mp -58.8 -39.08 80.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.361 -0.837 . . . . 0.0 109.909 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -50.41 72.17 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.516 -0.74 . . . . 0.0 109.568 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.13 -48.57 64.77 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.66 -0.65 . . . . 0.0 110.785 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.11 -36.17 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.615 -0.678 . . . . 0.0 110.102 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.75 -26.28 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.384 -0.823 . . . . 0.0 109.84 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -75.38 -44.66 43.65 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.426 -0.796 . . . . 0.0 110.101 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.2 mm -72.18 -29.37 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.44 -0.788 . . . . 0.0 109.859 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.13 -53.4 45.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 0.0 109.34 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -36.34 79.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.523 -0.736 . . . . 0.0 109.161 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.59 71.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.711 -0.618 . . . . 0.0 109.53 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.78 -25.98 60.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.623 -0.673 . . . . 0.0 109.678 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -81.81 -15.78 53.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.433 -0.792 . . . . 0.0 110.689 -179.62 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.4 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -64.09 -52.61 54.36 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.117 -0.989 . . . . 0.0 110.219 -179.31 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 15' ' ' SER . 37.4 Cg_endo -75.89 -26.59 9.39 Favored 'Trans proline' 0 N--CA 1.5 1.874 1 C-N-CA 125.636 4.224 . . . . 0.0 109.682 -179.809 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -30.22 71.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.506 -0.746 . . . . 0.0 109.058 179.322 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 pt -137.16 27.67 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.533 -0.73 . . . . 0.0 109.748 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 t -60.81 143.82 53.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.43 -0.794 . . . . 0.0 109.669 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -105.41 35.5 2.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.597 -0.689 . . . . 0.0 109.545 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.8 79.18 1.16 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.92 -1.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.662 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t -77.72 -15.13 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.65 -0.656 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 3' ' ' LEU . 2.1 mm? -57.93 -30.73 66.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.066 -1.021 . . . . 0.0 109.963 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.07 65.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.475 -0.766 . . . . 0.0 109.593 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.64 76.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.711 -0.618 . . . . 0.0 110.252 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.1 t -51.33 -33.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.545 -0.722 . . . . 0.0 110.937 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mt -71.44 -38.25 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.359 -0.838 . . . . 0.0 109.627 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -64.48 -36.66 84.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.538 -0.726 . . . . 0.0 109.679 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mm -79.55 -24.09 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.508 -0.745 . . . . 0.0 109.871 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -70.44 -40.65 73.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.414 -0.804 . . . . 0.0 109.164 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.46 -34.88 41.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.644 -0.66 . . . . 0.0 109.372 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.42 95.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.545 -0.722 . . . . 0.0 109.91 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.73 39.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.59 -0.693 . . . . 0.0 110.468 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 10' ' ' TYR . 5.4 mt -81.96 -22.59 36.58 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.338 -0.851 . . . . 0.0 110.724 -179.322 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -54.52 31.29 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.322 -0.861 . . . . 0.0 110.091 -179.324 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -76.43 -22.12 12.68 Favored 'Trans proline' 0 N--CA 1.5 1.881 1 C-N-CA 125.834 4.356 . . . . 0.0 110.049 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.24 -26.86 61.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.433 -0.792 . . . . 0.0 109.764 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' ' 14' ' ' LEU . 2.6 tt -103.3 -16.44 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.417 -0.802 . . . . 0.0 110.44 -179.634 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -58.72 144.93 42.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.135 -0.978 . . . . 0.0 109.841 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -99.26 34.15 2.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.522 -0.736 . . . . 0.0 109.578 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.86 95.84 1.99 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.871 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.617 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 29.3 t -75.11 -24.6 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.547 -0.721 . . . . 0.0 109.925 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -37.55 86.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 109.692 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.24 64.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.456 -0.778 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.59 72.55 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.574 -0.704 . . . . 0.0 110.625 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 45.2 t -53.23 -51.76 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.563 -0.711 . . . . 0.0 110.671 -179.111 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 mm -62.68 -26.99 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.0 109.876 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.67 -38.18 80.19 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.378 -0.826 . . . . 0.0 109.718 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mt -80.6 -23.67 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.686 -0.634 . . . . 0.0 109.949 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -70.0 -44.45 69.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.212 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -77.22 -37.18 53.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.619 -0.676 . . . . 0.0 109.299 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.62 68.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.806 -0.559 . . . . 0.0 109.981 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.45 -31.9 26.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.526 -0.734 . . . . 0.0 110.341 -179.037 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.6 mm? -81.41 -20.79 39.71 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.493 -0.754 . . . . 0.0 110.683 -179.082 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -63.04 -55.59 36.02 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.215 -0.928 . . . . 0.0 110.1 -179.445 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HA ' ' OG1' ' A' ' 19' ' ' THR . 37.9 Cg_endo -75.71 -27.54 8.81 Favored 'Trans proline' 0 N--CA 1.501 1.93 1 C-N-CA 125.913 4.408 . . . . 0.0 109.901 -179.699 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -32.81 71.38 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.598 -0.689 . . . . 0.0 109.307 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 18' ' ' ILE . 45.1 mt -143.13 42.7 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.553 -0.717 . . . . 0.0 109.537 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -60.21 -61.22 2.77 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.32 -0.862 . . . . 0.0 109.373 179.84 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -100.84 33.6 2.75 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.613 -0.68 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.85 174.17 44.12 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.843 -1.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 10.9 p -73.68 -33.76 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.596 -0.69 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -43.12 87.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.468 -0.77 . . . . 0.0 109.064 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.03 -49.01 76.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.606 -0.684 . . . . 0.0 109.465 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.04 64.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.702 -0.624 . . . . 0.0 110.879 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 45.5 t -54.39 -51.37 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.65 -0.656 . . . . 0.0 110.233 -179.351 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.94 -25.88 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.488 -0.758 . . . . 0.0 109.701 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -66.79 -42.23 86.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.85 . . . . 0.0 109.429 -179.866 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -67.56 -30.67 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.618 -0.676 . . . . 0.0 109.288 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -46.67 87.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.576 -0.703 . . . . 0.0 109.129 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.31 -36.12 82.65 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.406 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.31 76.49 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.838 -0.539 . . . . 0.0 109.847 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.48 74.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.536 -0.727 . . . . 0.0 109.376 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.73 -13.97 55.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.668 -0.645 . . . . 0.0 110.456 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.54 -54.04 60.11 Favored Pre-proline 0 N--CA 1.498 1.926 0 O-C-N 121.065 -1.022 . . . . 0.0 110.324 -179.253 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -75.65 -24.2 12.05 Favored 'Trans proline' 0 N--CA 1.499 1.831 1 C-N-CA 125.702 4.268 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.68 66.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.456 -0.777 . . . . 0.0 109.53 179.702 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 pt -91.58 -29.37 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.43 -0.794 . . . . 0.0 109.705 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -96.02 165.97 12.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.499 -0.751 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -99.24 32.76 2.62 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.527 -0.733 . . . . 0.0 109.524 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.77 95.19 0.19 Allowed Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.849 -1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.599 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.5 p -78.19 -42.42 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.511 -0.743 . . . . 0.0 109.552 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.451 ' N ' HG13 ' A' ' 2' ' ' VAL . 3.1 tp -76.08 -35.24 59.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.605 -0.684 . . . . 0.0 109.353 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.24 73.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.628 -0.67 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.83 73.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.796 -0.565 . . . . 0.0 110.903 -179.591 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 2' ' ' VAL . 34.1 t -52.7 -56.74 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.028 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.47 -23.67 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.48 -0.762 . . . . 0.0 109.465 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -37.17 85.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.133 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.4 mt -73.0 -31.8 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.33 -47.4 82.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.673 -0.642 . . . . 0.0 109.502 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -33.81 73.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -39.37 80.36 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.652 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.85 -56.47 15.14 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -84.93 13.77 5.61 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.601 -0.687 . . . . 0.0 111.004 -179.394 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -56.13 -50.93 84.58 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 120.892 -1.13 . . . . 0.0 110.57 -179.742 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.459 ' HA ' HG22 ' A' ' 19' ' ' THR . 39.0 Cg_endo -78.83 -20.9 10.09 Favored 'Trans proline' 0 N--CA 1.5 1.905 1 C-N-CA 125.821 4.348 . . . . 0.0 110.326 -179.832 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.42 -24.56 46.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.303 -0.873 . . . . 0.0 110.055 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.7 mt -90.55 -45.51 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.371 -0.83 . . . . 0.0 109.796 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 16' ' ' PRO . 8.6 t -61.99 170.96 1.89 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.503 -0.748 . . . . 0.0 109.869 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.06 39.32 1.5 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.596 -0.69 . . . . 0.0 109.14 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.14 -37.22 0.96 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.914 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.589 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.61 -28.12 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.498 -0.752 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -35.51 77.15 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.484 -0.76 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.82 72.28 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.568 -0.707 . . . . 0.0 109.675 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.35 75.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 110.258 -179.848 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.72 -33.02 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.667 -0.646 . . . . 0.0 110.37 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.7 mm -73.68 -34.0 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.87 -37.85 87.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.483 -0.76 . . . . 0.0 109.497 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -80.17 -25.0 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.552 -0.718 . . . . 0.0 109.76 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -67.74 -44.72 76.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.4 -0.813 . . . . 0.0 109.245 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -36.21 75.3 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.91 86.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.582 -0.699 . . . . 0.0 109.823 -179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.46 -22.7 37.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.23 -179.59 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.0 5.79 20.95 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.415 -0.803 . . . . 0.0 110.866 -179.21 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -70.11 -55.84 7.81 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.889 -1.132 . . . . 0.0 109.694 -179.6 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 38.8 Cg_endo -77.34 -24.85 8.92 Favored 'Trans proline' 0 N--CA 1.499 1.838 1 C-N-CA 125.779 4.319 . . . . 0.0 109.649 179.282 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.7 77.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.503 -0.748 . . . . 0.0 109.379 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.5 mt -82.0 -37.42 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.573 -0.705 . . . . 0.0 109.264 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -23.08 65.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.654 -0.654 . . . . 0.0 110.045 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -96.67 37.15 1.3 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.295 -0.878 . . . . 0.0 109.786 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.82 83.19 0.12 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.797 -2.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.678 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.2 t -74.68 -30.22 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.575 -0.703 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.99 -30.77 70.48 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.493 -0.754 . . . . 0.0 109.542 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 -50.59 67.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.668 -0.645 . . . . 0.0 109.363 179.853 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.15 66.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.63 -0.669 . . . . 0.0 110.485 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 t -54.1 -45.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.655 -0.653 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -63.99 -31.02 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -44.34 96.76 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.22 -30.08 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.441 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.24 -42.74 99.59 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.72 -34.03 77.24 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.2 -27.25 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.747 -0.596 . . . . 0.0 109.395 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.59 -47.22 49.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.755 -179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -81.88 -0.92 45.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.535 -0.728 . . . . 0.0 110.868 -179.391 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -57.46 24.79 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 120.992 -1.068 . . . . 0.0 109.746 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -72.17 -18.73 26.81 Favored 'Trans proline' 0 N--CA 1.503 2.03 1 C-N-CA 125.802 4.335 . . . . 0.0 110.178 179.759 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.19 -23.88 40.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.319 -0.863 . . . . 0.0 109.862 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 pt -142.86 32.25 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.265 -0.897 . . . . 0.0 110.484 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -54.86 -24.52 23.59 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.217 -0.927 . . . . 0.0 110.317 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.46 37.27 1.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 109.659 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.7 57.96 2.22 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.591 -1.403 . . . . 0.0 109.591 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.829 -1.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.644 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 3' ' ' LEU . 10.2 p -64.26 -40.11 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.536 -0.728 . . . . 0.0 109.569 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 4' ' ' ALA . 2.8 pp -59.85 -32.28 70.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.003 -179.757 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.824 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -59.45 -51.54 69.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.423 -0.798 . . . . 0.0 109.765 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.65 -50.05 69.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.62 -0.675 . . . . 0.0 110.415 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' A' ' 9' ' ' ILE . 24.6 t -53.0 -32.25 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.648 -0.658 . . . . 0.0 110.703 -179.424 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 4' ' ' ALA . 23.9 mt -67.86 -41.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.431 -0.793 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -42.64 99.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.539 -0.726 . . . . 0.0 109.217 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 6' ' ' VAL . 18.3 mt -68.22 -27.07 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.676 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -46.14 84.57 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.586 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.76 -36.89 85.76 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.18 -25.04 65.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.63 -42.9 70.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.41 -0.806 . . . . 0.0 109.393 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.885 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 3.9 mm? -80.7 81.24 7.0 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 19' ' ' THR . 0.6 OUTLIER -78.52 -49.57 1.72 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.604 -0.685 . . . . 0.0 110.605 -179.693 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 15' ' ' SER . 37.7 Cg_endo -76.76 -24.29 10.27 Favored 'Trans proline' 0 N--CA 1.499 1.831 1 C-N-CA 125.585 4.19 . . . . 0.0 110.036 -179.764 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.885 ' HB3' ' HB3' ' A' ' 14' ' ' LEU . . . -73.29 -46.03 52.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.437 -0.79 . . . . 0.0 109.016 179.453 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.7 pt -66.98 -31.89 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.618 -0.676 . . . . 0.0 109.301 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 15' ' ' SER . 60.0 p -67.78 -169.62 0.13 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.595 -0.69 . . . . 0.0 109.39 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -96.89 37.29 1.31 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.501 -0.749 . . . . 0.0 109.599 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.7 64.7 0.58 Allowed Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.886 -1.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.463 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.2 mm? -59.24 -39.35 82.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.566 -0.709 . . . . 0.0 109.691 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.79 76.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.494 -0.754 . . . . 0.0 109.681 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.13 67.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.737 -0.602 . . . . 0.0 110.528 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 t -54.11 -41.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.632 -0.667 . . . . 0.0 110.694 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -67.0 -31.81 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.374 -0.829 . . . . 0.0 109.535 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.94 89.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.495 -0.753 . . . . 0.0 109.721 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.4 mt -72.19 -30.04 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.51 -0.744 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.1 -42.7 99.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.11 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.58 -39.22 77.44 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.82 69.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.787 -0.571 . . . . 0.0 109.819 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.677 . . . . 0.0 110.222 -179.625 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.75 -31.94 72.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.62 69.38 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.66 -0.65 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -50.24 69.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.644 -0.66 . . . . 0.0 110.687 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 t -53.61 -51.25 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.465 -0.772 . . . . 0.0 110.613 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 mt -61.09 -28.17 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.427 -0.795 . . . . 0.0 109.734 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -38.71 85.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.53 -0.731 . . . . 0.0 109.605 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mt -68.45 -32.96 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.602 -0.686 . . . . 0.0 109.421 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -62.93 -40.46 97.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.488 -0.757 . . . . 0.0 109.209 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.51 -34.57 72.46 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.71 -34.9 69.94 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.725 -0.609 . . . . 0.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.577 -0.702 . . . . 0.0 109.347 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -30.84 65.41 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.518 -0.739 . . . . 0.0 109.925 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.76 72.35 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.434 -0.791 . . . . 0.0 109.469 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.61 73.27 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.721 -0.612 . . . . 0.0 110.198 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.22 -44.59 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.71 -0.619 . . . . 0.0 110.468 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.14 -34.28 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.497 -0.752 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -38.99 87.65 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.472 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -69.3 -31.32 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -43.53 98.43 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -65.76 -39.09 90.71 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.9 70.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.759 -0.588 . . . . 0.0 109.635 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.647 -0.658 . . . . 0.0 109.588 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -34.0 77.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.54 -0.725 . . . . 0.0 109.083 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.51 74.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.581 -0.7 . . . . 0.0 109.477 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.07 -48.21 64.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.735 -0.603 . . . . 0.0 110.632 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -54.95 -46.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 0.0 110.41 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.98 -28.24 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.396 -0.815 . . . . 0.0 109.455 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.07 -41.68 90.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.573 -0.705 . . . . 0.0 109.363 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.29 -30.56 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.28 -52.1 63.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.525 -0.734 . . . . 0.0 109.539 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.86 -33.62 76.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.619 -0.676 . . . . 0.0 109.206 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.53 -24.24 67.07 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.786 -0.571 . . . . 0.0 109.935 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 0.0 109.721 -179.856 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 t . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -31.37 72.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.565 -0.71 . . . . 0.0 109.288 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.61 71.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.611 -0.681 . . . . 0.0 109.692 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.52 -48.88 71.41 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.697 -0.627 . . . . 0.0 110.605 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.69 -54.17 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.506 -0.747 . . . . 0.0 110.523 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm -61.29 -26.85 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.411 -0.806 . . . . 0.0 109.78 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -41.58 91.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.3 mt -67.66 -31.84 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.86 -49.54 74.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.582 -0.699 . . . . 0.0 109.405 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -33.63 76.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.67 -0.643 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.13 91.29 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.699 . . . . 0.0 109.884 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.544 -0.723 . . . . 0.0 109.549 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.492 1.675 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.84 -30.51 71.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.505 -0.747 . . . . 0.0 109.603 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.52 -52.13 66.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.475 -0.766 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.73 73.94 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.307 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -54.53 -41.3 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.683 -0.635 . . . . 0.0 110.63 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -70.56 -29.16 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 109.464 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.33 -43.4 86.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.55 -29.16 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.737 . . . . 0.0 109.569 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -44.68 92.51 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.557 -0.714 . . . . 0.0 109.121 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.66 -36.58 84.09 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.86 80.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.718 -0.613 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.688 0 O-C-N 121.537 -0.727 . . . . 0.0 110.053 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.41 -35.5 77.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.519 -0.738 . . . . 0.0 109.712 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -51.18 69.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.9 74.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.719 -0.613 . . . . 0.0 110.454 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.37 -29.69 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.595 -0.691 . . . . 0.0 110.727 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.34 -34.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.34 -0.85 . . . . 0.0 109.425 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.78 -36.64 80.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -79.23 -32.85 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.437 -0.79 . . . . 0.0 109.603 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.52 -43.5 96.99 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -34.38 77.77 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.15 89.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.655 -0.653 . . . . 0.0 109.723 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.583 -0.698 . . . . 0.0 110.449 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.97 -33.39 75.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.583 -0.698 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.98 71.83 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.474 -0.766 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.31 67.92 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.628 -0.67 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.9 t -52.63 -39.84 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.717 -0.614 . . . . 0.0 110.457 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -64.62 -37.63 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.376 -0.828 . . . . 0.0 109.268 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.02 -39.26 89.08 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.548 -0.72 . . . . 0.0 109.278 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.9 mt -70.56 -30.1 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -63.26 -37.12 86.02 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -35.06 64.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.73 89.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.738 -0.601 . . . . 0.0 109.726 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.548 -0.72 . . . . 0.0 109.802 179.729 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -28.62 62.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.565 -0.71 . . . . 0.0 109.511 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.16 -52.13 65.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.552 -0.717 . . . . 0.0 109.627 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.11 77.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.693 -0.63 . . . . 0.0 110.32 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 2' ' ' VAL . 41.0 t -52.46 -44.43 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.604 -0.685 . . . . 0.0 110.767 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.1 -29.69 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.418 -0.802 . . . . 0.0 109.676 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.95 -35.93 81.96 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.595 -0.691 . . . . 0.0 109.414 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mt -79.08 -28.43 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 109.56 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -39.08 85.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.492 -0.755 . . . . 0.0 109.409 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.43 -35.14 35.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.6 -0.687 . . . . 0.0 109.589 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.15 85.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.687 -0.633 . . . . 0.0 109.934 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.775 0 O-C-N 121.561 -0.712 . . . . 0.0 110.081 -179.333 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -39.25 93.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.571 -0.706 . . . . 0.0 109.371 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -61.21 -50.29 73.71 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.617 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.8 -50.31 61.02 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.663 -0.648 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.36 -34.55 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.613 -0.679 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 4' ' ' ALA . 29.8 mt -71.0 -32.2 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.42 -0.8 . . . . 0.0 109.672 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.18 -38.85 78.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.495 -0.753 . . . . 0.0 109.545 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.46 -27.7 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 109.699 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -67.01 -46.91 73.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 109.042 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.18 -35.24 79.65 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.72 31.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.756 -0.59 . . . . 0.0 109.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.821 0 O-C-N 121.576 -0.702 . . . . 0.0 110.999 -179.585 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 3' ' ' LEU . 2.9 mm? -62.22 -29.01 70.09 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.636 -0.665 . . . . 0.0 109.627 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.73 69.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.474 -0.766 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.98 73.94 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.666 -0.646 . . . . 0.0 110.442 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.1 t -52.39 -52.24 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.548 -0.72 . . . . 0.0 110.736 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.45 -27.94 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.479 -0.763 . . . . 0.0 109.613 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -64.1 -44.42 92.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.483 -0.761 . . . . 0.0 109.692 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.5 mm -74.29 -27.12 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.523 -0.736 . . . . 0.0 109.938 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.408 -0.807 . . . . 0.0 109.402 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -35.15 69.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.62 -0.675 . . . . 0.0 109.203 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.81 84.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.559 -0.713 . . . . 0.0 109.846 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.76 -31.84 73.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.587 -0.696 . . . . 0.0 109.134 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.88 76.19 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.552 -0.717 . . . . 0.0 109.538 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.9 66.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.665 -0.647 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.18 -41.18 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.756 -0.59 . . . . 0.0 110.088 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -64.28 -32.62 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.38 -0.825 . . . . 0.0 109.049 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -41.33 98.25 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -70.91 -28.66 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -45.86 91.69 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.501 -0.749 . . . . 0.0 109.164 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.5 -35.09 79.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.0 69.84 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.523 -0.735 . . . . 0.0 109.685 -179.846 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.39 -30.19 71.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.538 -0.726 . . . . 0.0 109.396 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.7 69.24 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.89 -50.97 67.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.68 -0.637 . . . . 0.0 110.674 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -55.76 -45.79 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.524 -0.735 . . . . 0.0 110.555 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.51 -28.26 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.431 -0.793 . . . . 0.0 109.588 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -37.68 81.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.576 -0.703 . . . . 0.0 109.329 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.17 -31.1 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.588 -0.695 . . . . 0.0 109.48 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.38 -47.44 82.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.601 -0.687 . . . . 0.0 109.233 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.43 -37.88 83.72 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -25.48 67.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.716 -0.615 . . . . 0.0 110.055 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.849 . . . . 0.0 110.214 -179.252 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 40.0 t . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -71.89 -28.42 63.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -50.78 53.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.532 -0.73 . . . . 0.0 109.411 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.28 -49.45 77.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.81 -0.556 . . . . 0.0 110.42 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 41.0 t -56.01 -45.2 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.625 -0.672 . . . . 0.0 110.415 -179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 3' ' ' LEU . 29.3 mt -69.21 -24.33 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.429 -0.794 . . . . 0.0 109.841 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -38.48 71.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.614 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.7 mm -76.65 -30.26 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.722 . . . . 0.0 109.554 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -40.95 98.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.706 . . . . 0.0 109.43 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.16 -35.35 56.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.583 -0.698 . . . . 0.0 109.385 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.69 -34.59 73.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.54 -0.725 . . . . 0.0 109.816 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.02 -33.17 74.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.651 -0.655 . . . . 0.0 109.687 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.55 -52.33 65.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.423 -0.798 . . . . 0.0 109.694 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.77 67.77 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 0.0 110.626 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.98 -33.98 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.594 -0.691 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 4' ' ' ALA . 33.5 mt -72.78 -34.87 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.364 -0.835 . . . . 0.0 109.736 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -37.82 86.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.527 -0.733 . . . . 0.0 109.373 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.51 -28.59 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.557 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.29 -41.29 94.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.516 -0.74 . . . . 0.0 109.291 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -35.91 62.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.578 -0.701 . . . . 0.0 109.149 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.87 74.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.513 -0.742 . . . . 0.0 109.503 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.653 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.5 -32.77 74.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.606 -0.684 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.54 69.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.422 -0.799 . . . . 0.0 109.781 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.8 73.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.644 -0.66 . . . . 0.0 110.259 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -53.88 -37.68 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.754 -0.591 . . . . 0.0 110.597 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -73.14 -31.25 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.37 -0.831 . . . . 0.0 109.564 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -36.0 81.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.47 -0.769 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.08 -30.62 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.631 -0.668 . . . . 0.0 109.537 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -63.39 -45.61 90.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.5 -36.53 79.04 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.17 68.18 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.775 -0.578 . . . . 0.0 109.937 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.468 -0.77 . . . . 0.0 109.909 -179.726 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.5 mm? -61.71 -31.38 71.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.618 -0.676 . . . . 0.0 109.483 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.16 71.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.644 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.81 -50.16 73.21 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.749 -0.595 . . . . 0.0 110.53 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 9' ' ' ILE . 26.0 t -53.7 -49.88 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.518 -0.739 . . . . 0.0 110.491 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.79 -28.52 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.4 -0.812 . . . . 0.0 109.451 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -63.97 -42.91 97.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.508 -0.745 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 6' ' ' VAL . 10.1 mt -65.42 -31.22 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -45.63 92.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.59 -0.694 . . . . 0.0 109.408 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.19 -34.41 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.565 -0.709 . . . . 0.0 109.287 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -32.22 66.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.676 -0.64 . . . . 0.0 109.973 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.626 -0.671 . . . . 0.0 109.376 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.4 t . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -33.97 75.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.458 -0.776 . . . . 0.0 109.671 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.14 66.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.539 -0.726 . . . . 0.0 109.995 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.98 70.41 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.559 -0.713 . . . . 0.0 110.41 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -50.96 -40.33 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.544 -0.722 . . . . 0.0 110.77 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.2 -37.94 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.384 -0.822 . . . . 0.0 109.377 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -61.84 -36.42 81.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.608 -0.683 . . . . 0.0 109.681 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.39 -30.17 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.671 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.35 -34.72 61.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.571 -0.705 . . . . 0.0 109.271 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.0 81.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.583 -0.698 . . . . 0.0 109.92 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.6 -0.688 . . . . 0.0 109.347 179.836 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -35.11 78.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.536 -0.727 . . . . 0.0 109.597 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.8 71.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . 0.0 109.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.08 70.75 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.616 -0.677 . . . . 0.0 110.188 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -55.03 -35.24 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.722 -0.611 . . . . 0.0 110.474 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.56 -32.47 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.787 . . . . 0.0 109.82 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.9 -37.48 79.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.521 -0.737 . . . . 0.0 109.644 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.23 -29.61 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.626 -0.672 . . . . 0.0 109.544 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -51.95 57.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.587 -0.695 . . . . 0.0 109.18 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.18 -36.12 83.03 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.576 -0.702 . . . . 0.0 109.276 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.654 -0.654 . . . . 0.0 109.787 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.495 -0.753 . . . . 0.0 109.949 -179.741 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 6' ' ' VAL . 33.9 t . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -35.44 75.64 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.803 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.564 -0.71 . . . . 0.0 109.649 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.39 -50.18 62.97 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.667 -0.646 . . . . 0.0 110.95 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 2' ' ' VAL . 22.9 t -54.59 -54.44 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.486 -0.759 . . . . 0.0 110.614 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.6 mm -60.79 -23.56 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.804 . . . . 0.0 109.972 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.43 -39.63 67.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.414 -0.804 . . . . 0.0 109.969 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.77 -36.74 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.581 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.89 -42.11 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.516 -0.74 . . . . 0.0 109.281 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.46 -35.24 77.29 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.13 83.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.72 -0.612 . . . . 0.0 109.78 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.604 -0.685 . . . . 0.0 109.696 -179.986 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.24 -31.98 73.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.592 -0.693 . . . . 0.0 109.516 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.01 71.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.565 -0.71 . . . . 0.0 109.775 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.9 -49.69 68.01 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.625 -0.672 . . . . 0.0 110.597 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.413 ' HA ' HD12 ' A' ' 9' ' ' ILE . 24.0 t -52.75 -47.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.62 -0.675 . . . . 0.0 110.629 -179.262 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.75 -32.19 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.398 -0.814 . . . . 0.0 109.683 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.14 -44.34 92.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.472 -0.767 . . . . 0.0 109.432 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 6' ' ' VAL . 19.7 mt -63.7 -29.61 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.566 -0.709 . . . . 0.0 109.163 179.676 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -62.63 -45.75 91.43 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.468 -0.77 . . . . 0.0 109.165 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.94 -35.67 81.9 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.03 -28.26 69.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.725 -0.61 . . . . 0.0 109.584 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.462 -0.773 . . . . 0.0 109.924 -179.762 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 6' ' ' VAL . 23.3 t . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -35.48 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.572 -0.705 . . . . 0.0 109.567 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.32 -52.0 67.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 109.712 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.74 72.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.683 -0.635 . . . . 0.0 110.203 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 2' ' ' VAL . 26.0 t -52.27 -42.03 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.685 -0.635 . . . . 0.0 110.631 -179.463 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 4' ' ' ALA . 36.8 mt -63.31 -36.85 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.43 -0.794 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.55 -40.78 97.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.653 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -71.93 -24.69 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.667 -0.646 . . . . 0.0 109.689 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -68.76 -39.01 80.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 109.222 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -76.29 -34.78 59.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.717 -0.614 . . . . 0.0 109.407 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.19 87.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.646 -0.659 . . . . 0.0 109.931 -179.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.705 . . . . 0.0 109.685 -179.693 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 3' ' ' LEU . 10.0 mp -58.8 -39.08 80.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.361 -0.837 . . . . 0.0 109.909 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -50.41 72.17 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.516 -0.74 . . . . 0.0 109.568 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.13 -48.57 64.77 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.66 -0.65 . . . . 0.0 110.785 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.11 -36.17 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.615 -0.678 . . . . 0.0 110.102 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.75 -26.28 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.384 -0.823 . . . . 0.0 109.84 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -75.38 -44.66 43.65 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.426 -0.796 . . . . 0.0 110.101 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.2 mm -72.18 -29.37 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.44 -0.788 . . . . 0.0 109.859 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.13 -53.4 45.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 0.0 109.34 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -36.34 79.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.523 -0.736 . . . . 0.0 109.161 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.59 71.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.711 -0.618 . . . . 0.0 109.53 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 O-C-N 121.623 -0.673 . . . . 0.0 109.678 179.991 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 3' ' ' LEU . 2.1 mm? -57.93 -30.73 66.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.066 -1.021 . . . . 0.0 109.963 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.07 65.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.475 -0.766 . . . . 0.0 109.593 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.64 76.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.711 -0.618 . . . . 0.0 110.252 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.1 t -51.33 -33.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.545 -0.722 . . . . 0.0 110.937 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mt -71.44 -38.25 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.359 -0.838 . . . . 0.0 109.627 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -64.48 -36.66 84.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.538 -0.726 . . . . 0.0 109.679 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mm -79.55 -24.09 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.508 -0.745 . . . . 0.0 109.871 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -40.65 73.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.414 -0.804 . . . . 0.0 109.164 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.46 -34.88 41.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.644 -0.66 . . . . 0.0 109.372 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.42 95.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.545 -0.722 . . . . 0.0 109.91 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.59 -0.693 . . . . 0.0 110.468 -179.495 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 29.3 t . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -37.55 86.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 109.692 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.24 64.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.456 -0.778 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.59 72.55 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.574 -0.704 . . . . 0.0 110.625 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 45.2 t -53.23 -51.76 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.563 -0.711 . . . . 0.0 110.671 -179.111 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 mm -62.68 -26.99 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.0 109.876 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.67 -38.18 80.19 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.378 -0.826 . . . . 0.0 109.718 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mt -80.6 -23.67 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.686 -0.634 . . . . 0.0 109.949 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -70.0 -44.45 69.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.212 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -77.22 -37.18 53.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.619 -0.676 . . . . 0.0 109.299 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.62 68.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.806 -0.559 . . . . 0.0 109.981 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.526 -0.734 . . . . 0.0 110.341 -179.037 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 10.9 p . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -43.12 87.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.468 -0.77 . . . . 0.0 109.064 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.03 -49.01 76.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.606 -0.684 . . . . 0.0 109.465 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.04 64.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.702 -0.624 . . . . 0.0 110.879 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 45.5 t -54.39 -51.37 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.65 -0.656 . . . . 0.0 110.233 -179.351 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.94 -25.88 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.488 -0.758 . . . . 0.0 109.701 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -66.79 -42.23 86.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.85 . . . . 0.0 109.429 -179.866 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -67.56 -30.67 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.618 -0.676 . . . . 0.0 109.288 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -46.67 87.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.576 -0.703 . . . . 0.0 109.129 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.31 -36.12 82.65 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.31 76.49 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.838 -0.539 . . . . 0.0 109.847 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.536 -0.727 . . . . 0.0 109.376 179.945 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.5 p . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.451 ' N ' HG13 ' A' ' 2' ' ' VAL . 3.1 tp -76.08 -35.24 59.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.605 -0.684 . . . . 0.0 109.353 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.24 73.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.628 -0.67 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.83 73.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.796 -0.565 . . . . 0.0 110.903 -179.591 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 2' ' ' VAL . 34.1 t -52.7 -56.74 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.028 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.47 -23.67 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.48 -0.762 . . . . 0.0 109.465 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -37.17 85.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.133 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.4 mt -73.0 -31.8 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.33 -47.4 82.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.673 -0.642 . . . . 0.0 109.502 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -33.81 73.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -39.37 80.36 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.652 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.681 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -35.51 77.15 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.484 -0.76 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.82 72.28 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.568 -0.707 . . . . 0.0 109.675 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.35 75.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 110.258 -179.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.72 -33.02 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.667 -0.646 . . . . 0.0 110.37 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.7 mm -73.68 -34.0 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.87 -37.85 87.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.483 -0.76 . . . . 0.0 109.497 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -80.17 -25.0 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.552 -0.718 . . . . 0.0 109.76 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -67.74 -44.72 76.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.4 -0.813 . . . . 0.0 109.245 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -36.21 75.3 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.91 86.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.582 -0.699 . . . . 0.0 109.823 -179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.23 -179.59 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.99 -30.77 70.48 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.493 -0.754 . . . . 0.0 109.542 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 -50.59 67.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.668 -0.645 . . . . 0.0 109.363 179.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.15 66.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.63 -0.669 . . . . 0.0 110.485 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 t -54.1 -45.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.655 -0.653 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -63.99 -31.02 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -44.34 96.76 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.22 -30.08 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.441 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.24 -42.74 99.59 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.72 -34.03 77.24 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.2 -27.25 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.747 -0.596 . . . . 0.0 109.395 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.755 -179.855 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 3' ' ' LEU . 10.2 p . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 4' ' ' ALA . 2.8 pp -59.85 -32.28 70.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.003 -179.757 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.824 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -59.45 -51.54 69.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.423 -0.798 . . . . 0.0 109.765 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.65 -50.05 69.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.62 -0.675 . . . . 0.0 110.415 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' A' ' 9' ' ' ILE . 24.6 t -53.0 -32.25 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.648 -0.658 . . . . 0.0 110.703 -179.424 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 4' ' ' ALA . 23.9 mt -67.86 -41.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.431 -0.793 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -42.64 99.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.539 -0.726 . . . . 0.0 109.217 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 6' ' ' VAL . 18.3 mt -68.22 -27.07 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.676 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -46.14 84.57 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.586 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.76 -36.89 85.76 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.18 -25.04 65.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.41 -0.806 . . . . 0.0 109.393 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.625 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.57 -30.35 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.572 -0.705 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.463 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.2 mm? -59.24 -39.35 82.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.566 -0.709 . . . . 0.0 109.691 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.51 -49.79 76.43 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.494 -0.754 . . . . 0.0 109.681 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.13 67.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.737 -0.602 . . . . 0.0 110.528 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 t -54.11 -41.87 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.632 -0.667 . . . . 0.0 110.694 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -67.0 -31.81 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.374 -0.829 . . . . 0.0 109.535 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -66.43 -40.94 89.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.495 -0.753 . . . . 0.0 109.721 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.4 mt -72.19 -30.04 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.51 -0.744 . . . . 0.0 109.489 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -63.1 -42.7 99.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.11 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -69.58 -39.22 77.44 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.82 69.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.787 -0.571 . . . . 0.0 109.819 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.64 -23.12 37.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.677 . . . . 0.0 110.222 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' HG22 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -81.51 -3.97 54.63 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.402 -0.811 . . . . 0.0 110.795 -179.317 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -77.62 -53.28 1.57 Allowed Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.012 -1.055 . . . . 0.0 109.749 -179.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 39.4 Cg_endo -79.16 -21.86 8.9 Favored 'Trans proline' 0 N--CA 1.5 1.904 1 C-N-CA 125.891 4.394 . . . . 0.0 110.211 179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.7 -34.61 34.49 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.341 -0.849 . . . . 0.0 110.115 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 14' ' ' LEU . 1.9 tp -77.67 -39.88 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.401 -0.812 . . . . 0.0 109.792 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.404 ' N ' HG23 ' A' ' 18' ' ' ILE . 5.8 t -61.55 151.37 33.27 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.483 -0.76 . . . . 0.0 109.75 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -103.2 29.09 5.78 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.548 -0.72 . . . . 0.0 109.391 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.2 -113.65 2.12 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.804 -1.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.651 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.13 -32.48 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.597 -0.689 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.75 -31.94 72.98 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.61 -0.681 . . . . 0.0 109.532 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.62 69.38 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.66 -0.65 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -50.24 69.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.644 -0.66 . . . . 0.0 110.687 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.7 t -53.61 -51.25 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.465 -0.772 . . . . 0.0 110.613 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 mt -61.09 -28.17 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.427 -0.795 . . . . 0.0 109.734 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -38.71 85.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.53 -0.731 . . . . 0.0 109.605 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mt -68.45 -32.96 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.602 -0.686 . . . . 0.0 109.421 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -62.93 -40.46 97.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.488 -0.757 . . . . 0.0 109.209 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.51 -34.57 72.46 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.71 -34.9 69.94 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.725 -0.609 . . . . 0.0 109.893 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.28 -42.31 55.17 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.577 -0.702 . . . . 0.0 109.347 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.712 ' HG ' ' HB3' ' A' ' 17' ' ' ALA . 2.9 tp -84.52 11.61 8.41 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.547 -0.72 . . . . 0.0 110.897 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.811 ' O ' HG23 ' A' ' 19' ' ' THR . 0.4 OUTLIER -57.07 -51.28 82.82 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 120.94 -1.1 . . . . 0.0 110.581 -179.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 15' ' ' SER . 38.4 Cg_endo -77.86 -23.69 9.19 Favored 'Trans proline' 0 N--CA 1.5 1.881 1 C-N-CA 125.908 4.405 . . . . 0.0 110.37 -179.655 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.712 ' HB3' ' HG ' ' A' ' 14' ' ' LEU . . . -75.51 -25.78 57.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.417 -0.802 . . . . 0.0 109.963 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.23 -22.52 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.399 -0.813 . . . . 0.0 110.145 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.811 HG23 ' O ' ' A' ' 15' ' ' SER . 14.4 p -58.83 154.67 14.49 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.246 -0.909 . . . . 0.0 109.99 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -98.55 33.91 2.15 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.574 -0.704 . . . . 0.0 109.447 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.56 -52.03 2.06 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.833 -1.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.689 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.18 -28.19 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.58 -0.7 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.48 -30.84 65.41 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.518 -0.739 . . . . 0.0 109.925 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.76 72.35 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.434 -0.791 . . . . 0.0 109.469 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.61 73.27 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.721 -0.612 . . . . 0.0 110.198 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -52.22 -44.59 41.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.71 -0.619 . . . . 0.0 110.468 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.14 -34.28 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.497 -0.752 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -38.99 87.65 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.472 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.6 mt -69.3 -31.32 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -43.53 98.43 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -65.76 -39.09 90.71 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.9 70.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.759 -0.588 . . . . 0.0 109.635 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -28.16 57.24 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.647 -0.658 . . . . 0.0 109.588 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.81 -19.94 36.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.5 -0.75 . . . . 0.0 110.762 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.407 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.5 t -57.29 -51.86 78.51 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 121.105 -0.997 . . . . 0.0 110.387 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' HA ' HG22 ' A' ' 19' ' ' THR . 37.7 Cg_endo -75.4 -28.27 8.68 Favored 'Trans proline' 0 N--CA 1.5 1.873 1 C-N-CA 125.604 4.202 . . . . 0.0 109.879 179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.5 -30.2 70.48 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.511 -0.743 . . . . 0.0 109.381 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.8 mt -78.39 -51.93 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.603 -0.685 . . . . 0.0 109.402 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 19' ' ' THR . 7.8 t -63.12 111.51 2.24 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.435 -0.791 . . . . 0.0 109.467 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -105.01 30.12 5.8 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.513 -0.742 . . . . 0.0 109.732 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.55 -47.72 0.05 OUTLIER Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.898 -1.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.686 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 t -77.93 -35.59 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.647 -0.658 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -34.0 77.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.54 -0.725 . . . . 0.0 109.083 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.51 74.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.581 -0.7 . . . . 0.0 109.477 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.07 -48.21 64.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.735 -0.603 . . . . 0.0 110.632 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.0 t -54.95 -46.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 0.0 110.41 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.98 -28.24 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.396 -0.815 . . . . 0.0 109.455 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.07 -41.68 90.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.573 -0.705 . . . . 0.0 109.363 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -70.29 -30.56 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.28 -52.1 63.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.525 -0.734 . . . . 0.0 109.539 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.86 -33.62 76.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.619 -0.676 . . . . 0.0 109.206 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.53 -24.24 67.07 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.786 -0.571 . . . . 0.0 109.935 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.58 -42.55 42.24 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.346 -0.846 . . . . 0.0 109.721 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -81.93 -12.6 58.31 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.555 -0.716 . . . . 0.0 110.681 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.5 t -61.9 -53.77 56.94 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.035 . . . . 0.0 110.024 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 15' ' ' SER . 37.2 Cg_endo -73.48 -24.5 16.2 Favored 'Trans proline' 0 N--CA 1.502 1.98 1 C-N-CA 125.576 4.184 . . . . 0.0 110.026 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.92 -32.9 74.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.484 -0.76 . . . . 0.0 109.119 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -154.23 48.36 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.669 -0.644 . . . . 0.0 109.462 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 20' ' ' PHE . 6.4 t -58.69 -41.39 86.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.357 -0.84 . . . . 0.0 109.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.468 ' N ' HG23 ' A' ' 19' ' ' THR . 39.1 m-85 -103.5 37.54 1.99 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.557 -0.714 . . . . 0.0 109.52 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.9 -57.8 11.32 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.591 -1.403 . . . . 0.0 109.591 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.835 -1.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.584 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.3 t -76.76 -53.47 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.536 -0.727 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -31.37 72.54 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.565 -0.71 . . . . 0.0 109.288 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.61 71.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.611 -0.681 . . . . 0.0 109.692 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.52 -48.88 71.41 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.697 -0.627 . . . . 0.0 110.605 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.69 -54.17 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.506 -0.747 . . . . 0.0 110.523 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 mm -61.29 -26.85 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.411 -0.806 . . . . 0.0 109.78 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -41.58 91.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.373 -0.83 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.3 mt -67.66 -31.84 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.86 -49.54 74.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.582 -0.699 . . . . 0.0 109.405 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -33.63 76.3 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.67 -0.643 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.46 -42.13 91.29 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.581 -0.699 . . . . 0.0 109.884 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.56 -29.32 67.85 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.544 -0.723 . . . . 0.0 109.549 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 tp -81.19 -17.24 50.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.482 -0.761 . . . . 0.0 110.435 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.29 -54.93 51.28 Favored Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.246 -0.909 . . . . 0.0 110.132 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -74.99 -27.11 10.31 Favored 'Trans proline' 0 N--CA 1.499 1.812 1 C-N-CA 125.746 4.297 . . . . 0.0 109.764 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.737 ' O ' HD13 ' A' ' 18' ' ' ILE . . . -65.1 -31.56 72.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.488 -0.758 . . . . 0.0 108.995 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 17' ' ' ALA . 33.2 mm -135.45 28.39 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.668 -0.645 . . . . 0.0 109.731 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 t -61.53 170.03 2.06 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.313 -0.867 . . . . 0.0 109.374 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -101.16 27.93 5.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.562 -0.711 . . . . 0.0 109.569 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.78 157.49 18.21 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.418 0 O-C-N 119.89 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.631 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.2 t -76.42 -66.59 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.551 -0.718 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.84 -30.51 71.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.505 -0.747 . . . . 0.0 109.603 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.52 -52.13 66.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.475 -0.766 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.73 73.94 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.638 -0.663 . . . . 0.0 110.307 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.0 t -54.53 -41.3 53.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.683 -0.635 . . . . 0.0 110.63 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -70.56 -29.16 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.38 -0.825 . . . . 0.0 109.464 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.33 -43.4 86.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.828 . . . . 0.0 109.712 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -74.55 -29.16 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.737 . . . . 0.0 109.569 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -44.68 92.51 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.557 -0.714 . . . . 0.0 109.121 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.438 ' CZ ' ' CD1' ' A' ' 18' ' ' ILE . 2.1 t80 -65.66 -36.58 84.09 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.86 80.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.718 -0.613 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.02 -22.07 39.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.537 -0.727 . . . . 0.0 110.053 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.73 47.39 1.43 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.451 -0.781 . . . . 0.0 110.803 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.435 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -73.67 -51.45 5.31 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 109.504 179.7 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 15' ' ' SER . 38.3 Cg_endo -79.44 -25.71 5.44 Favored 'Trans proline' 0 N--CA 1.498 1.752 1 C-N-CA 125.895 4.397 . . . . 0.0 109.608 179.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 -38.56 84.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.479 -0.763 . . . . 0.0 109.322 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 58.9 mt -95.52 -62.71 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.479 -0.763 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.449 HG22 ' H ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -70.53 -169.06 0.29 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' H ' HG22 ' A' ' 19' ' ' THR . 30.5 p90 -105.27 32.45 4.23 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.519 -0.738 . . . . 0.0 109.742 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.99 40.61 3.04 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.863 -1.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.636 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.1 t -70.5 -29.7 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.577 -0.702 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.41 -35.5 77.7 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.519 -0.738 . . . . 0.0 109.712 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.29 -51.18 69.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.9 74.4 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.719 -0.613 . . . . 0.0 110.454 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.37 -29.69 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.595 -0.691 . . . . 0.0 110.727 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm -77.34 -34.01 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.34 -0.85 . . . . 0.0 109.425 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.78 -36.64 80.82 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 mt -79.23 -32.85 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.437 -0.79 . . . . 0.0 109.603 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.52 -43.5 96.99 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.526 -0.734 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -34.38 77.77 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.15 89.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.655 -0.653 . . . . 0.0 109.723 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' ALA . . . -80.71 -12.45 59.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.583 -0.698 . . . . 0.0 110.449 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.9 mt -81.55 -27.69 34.24 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.256 -0.902 . . . . 0.0 110.25 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -55.26 44.14 Favored Pre-proline 0 N--CA 1.496 1.847 0 O-C-N 121.421 -0.799 . . . . 0.0 110.112 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -76.64 -14.67 17.6 Favored 'Trans proline' 0 N--CA 1.501 1.933 1 C-N-CA 125.808 4.339 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 13' ' ' ALA . . . -81.28 -30.86 33.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.231 -0.918 . . . . 0.0 110.253 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.8 mm -98.26 -35.33 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.427 -0.796 . . . . 0.0 110.244 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -61.22 119.86 9.24 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.504 -0.748 . . . . 0.0 109.819 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -104.15 32.07 4.2 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.21 102.16 2.81 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.883 -1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.614 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 t -76.1 -66.01 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.61 -0.681 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.97 -33.39 75.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.583 -0.698 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.98 71.83 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.474 -0.766 . . . . 0.0 109.671 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.31 67.92 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.628 -0.67 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.9 t -52.63 -39.84 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.717 -0.614 . . . . 0.0 110.457 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -64.62 -37.63 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.376 -0.828 . . . . 0.0 109.268 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.02 -39.26 89.08 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.548 -0.72 . . . . 0.0 109.278 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.9 mt -70.56 -30.1 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -63.26 -37.12 86.02 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.76 -35.06 64.96 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.73 89.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.738 -0.601 . . . . 0.0 109.726 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.37 49.94 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.548 -0.72 . . . . 0.0 109.802 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.79 -15.83 50.19 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.44 -0.788 . . . . 0.0 110.527 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -54.13 49.78 Favored Pre-proline 0 N--CA 1.5 2.034 0 O-C-N 121.035 -1.04 . . . . 0.0 110.484 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.638 ' O ' HG22 ' A' ' 19' ' ' THR . 38.0 Cg_endo -75.47 -15.2 19.87 Favored 'Trans proline' 0 N--CA 1.501 1.947 1 C-N-CA 125.789 4.326 . . . . 0.0 110.381 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.7 -29.62 40.79 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.209 -0.932 . . . . 0.0 109.403 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 pt -107.15 -4.04 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.569 -0.707 . . . . 0.0 110.638 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.638 HG22 ' O ' ' A' ' 16' ' ' PRO . 5.2 t -56.06 125.82 23.26 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.05 -1.031 . . . . 0.0 110.156 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -100.99 30.64 3.97 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.702 -0.624 . . . . 0.0 109.519 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.88 -106.55 1.68 Allowed Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.88 -1.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.625 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.3 p -67.69 -34.12 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.61 -0.681 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -28.62 62.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.565 -0.71 . . . . 0.0 109.511 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.16 -52.13 65.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.552 -0.717 . . . . 0.0 109.627 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.11 77.39 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.693 -0.63 . . . . 0.0 110.32 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 2' ' ' VAL . 41.0 t -52.46 -44.43 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.604 -0.685 . . . . 0.0 110.767 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.1 -29.69 43.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.418 -0.802 . . . . 0.0 109.676 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.95 -35.93 81.96 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.595 -0.691 . . . . 0.0 109.414 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mt -79.08 -28.43 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 109.56 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.42 -39.08 85.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.492 -0.755 . . . . 0.0 109.409 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -80.43 -35.14 35.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.6 -0.687 . . . . 0.0 109.589 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.15 85.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.687 -0.633 . . . . 0.0 109.934 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.36 -49.55 10.55 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.561 -0.712 . . . . 0.0 110.081 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD13 ' CB ' ' A' ' 17' ' ' ALA . 4.5 mm? -83.98 9.03 13.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.489 -0.757 . . . . 0.0 111.235 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.87 -55.83 37.87 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.975 -1.078 . . . . 0.0 109.699 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -74.97 -26.03 11.35 Favored 'Trans proline' 0 N--CA 1.501 1.917 1 C-N-CA 125.777 4.318 . . . . 0.0 109.66 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' CB ' HD13 ' A' ' 14' ' ' LEU . . . -66.9 -29.72 69.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.486 -0.759 . . . . 0.0 109.321 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 18' ' ' ILE . 5.9 tt -157.38 50.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.522 -0.736 . . . . 0.0 109.659 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 t -59.76 -27.93 66.95 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.482 -0.761 . . . . 0.0 109.883 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -102.13 40.04 1.4 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.459 -0.775 . . . . 0.0 109.665 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.38 -48.04 0.02 OUTLIER Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.835 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t -73.65 -38.12 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.579 -0.701 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -39.25 93.72 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.571 -0.706 . . . . 0.0 109.371 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.691 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -61.21 -50.29 73.71 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.617 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.8 -50.31 61.02 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.663 -0.648 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.36 -34.55 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.613 -0.679 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 4' ' ' ALA . 29.8 mt -71.0 -32.2 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.42 -0.8 . . . . 0.0 109.672 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -69.18 -38.85 78.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.495 -0.753 . . . . 0.0 109.545 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.46 -27.7 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.569 -0.707 . . . . 0.0 109.699 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -67.01 -46.91 73.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.395 -0.816 . . . . 0.0 109.042 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -63.18 -35.24 79.65 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.72 31.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.756 -0.59 . . . . 0.0 109.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.25 5.72 19.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.576 -0.702 . . . . 0.0 110.999 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -74.24 -16.67 60.95 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.038 -1.039 . . . . 0.0 110.679 -179.726 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -57.14 4.24 Favored Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.201 -0.937 . . . . 0.0 109.965 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -75.51 -24.05 12.41 Favored 'Trans proline' 0 N--CA 1.501 1.93 1 C-N-CA 125.742 4.295 . . . . 0.0 109.887 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.99 76.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.431 -0.793 . . . . 0.0 109.427 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 tt -85.79 -34.03 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.5 -0.75 . . . . 0.0 109.442 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.7 m -91.09 105.09 17.57 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.626 -0.672 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -104.65 28.12 7.33 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.557 -0.714 . . . . 0.0 109.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.31 52.01 5.83 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.829 -1.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.696 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.43 -32.9 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.616 -0.677 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 3' ' ' LEU . 2.9 mm? -62.22 -29.01 70.09 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.636 -0.665 . . . . 0.0 109.627 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.93 -50.73 69.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.474 -0.766 . . . . 0.0 109.673 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.98 73.94 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.666 -0.646 . . . . 0.0 110.442 -179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.1 t -52.39 -52.24 27.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.548 -0.72 . . . . 0.0 110.736 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.0 mm -62.45 -27.94 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.479 -0.763 . . . . 0.0 109.613 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -64.1 -44.42 92.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.483 -0.761 . . . . 0.0 109.692 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.5 mm -74.29 -27.12 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.523 -0.736 . . . . 0.0 109.938 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -42.95 93.9 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.408 -0.807 . . . . 0.0 109.402 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -35.15 69.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.62 -0.675 . . . . 0.0 109.203 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.81 84.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.28 -24.38 42.95 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.559 -0.713 . . . . 0.0 109.846 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 mt -81.68 -16.03 52.61 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.385 -0.822 . . . . 0.0 110.477 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -54.96 51.02 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.198 -0.939 . . . . 0.0 110.016 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -74.98 -27.34 10.14 Favored 'Trans proline' 0 N--CA 1.499 1.803 1 C-N-CA 125.728 4.285 . . . . 0.0 109.585 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.58 70.57 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 tt -152.75 45.66 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.524 -0.735 . . . . 0.0 109.548 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 t -60.38 170.31 1.39 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.387 -0.82 . . . . 0.0 109.622 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -100.93 36.32 1.99 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.579 -0.701 . . . . 0.0 109.493 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -112.99 106.17 1.79 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.924 -1.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.683 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 p -64.03 -37.69 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.608 -0.682 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.76 -31.84 73.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.587 -0.696 . . . . 0.0 109.134 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.88 76.19 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.552 -0.717 . . . . 0.0 109.538 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.9 66.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.665 -0.647 . . . . 0.0 110.249 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.18 -41.18 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.756 -0.59 . . . . 0.0 110.088 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -64.28 -32.62 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.38 -0.825 . . . . 0.0 109.049 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -41.33 98.25 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -70.91 -28.66 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -45.86 91.69 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.501 -0.749 . . . . 0.0 109.164 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -64.5 -35.09 79.82 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -29.0 69.84 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.75 -29.68 56.23 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.523 -0.735 . . . . 0.0 109.685 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.87 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 35.4 mt -81.63 78.59 8.35 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.596 -0.69 . . . . 0.0 109.626 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -79.78 -47.75 1.44 Allowed Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.581 -0.7 . . . . 0.0 110.489 -179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 15' ' ' SER . 39.6 Cg_endo -81.08 -18.74 8.6 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 C-N-CA 125.697 4.265 . . . . 0.0 110.124 179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.87 ' HB3' ' HB3' ' A' ' 14' ' ' LEU . . . -81.97 -41.93 20.11 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.372 -0.83 . . . . 0.0 110.513 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.836 HG22 ' O ' ' A' ' 14' ' ' LEU . 18.8 tt -99.24 -29.91 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.291 -0.88 . . . . 0.0 110.205 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.49 48.02 1.03 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.763 . . . . 0.0 109.367 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -104.85 31.8 4.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.524 -0.735 . . . . 0.0 109.435 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.44 -106.85 0.28 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.87 -1.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.654 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.61 -42.72 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.571 -0.705 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.39 -30.19 71.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.538 -0.726 . . . . 0.0 109.396 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.7 69.24 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.577 -0.702 . . . . 0.0 109.733 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.89 -50.97 67.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.68 -0.637 . . . . 0.0 110.674 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -55.76 -45.79 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.524 -0.735 . . . . 0.0 110.555 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.51 -28.26 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.431 -0.793 . . . . 0.0 109.588 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -37.68 81.67 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.576 -0.703 . . . . 0.0 109.329 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.17 -31.1 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.588 -0.695 . . . . 0.0 109.48 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.38 -47.44 82.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.601 -0.687 . . . . 0.0 109.233 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.413 ' HA ' HD21 ' A' ' 14' ' ' LEU . 2.0 t80 -67.43 -37.88 83.72 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.32 -25.48 67.16 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.716 -0.615 . . . . 0.0 110.055 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.83 -47.97 11.29 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.341 -0.849 . . . . 0.0 110.214 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 11' ' ' PHE . 3.0 pp -76.62 -4.17 41.58 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.482 -0.761 . . . . 0.0 111.335 -179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -76.81 -57.89 1.15 Allowed Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.047 -1.033 . . . . 0.0 109.516 -179.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 15' ' ' SER . 39.0 Cg_endo -76.2 -29.86 6.04 Favored 'Trans proline' 0 N--CA 1.501 1.93 1 C-N-CA 125.801 4.334 . . . . 0.0 109.572 179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 18' ' ' ILE . . . -70.18 -37.93 75.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.639 -0.663 . . . . 0.0 109.394 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 17' ' ' ALA . 23.4 pt -154.39 62.36 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.576 -0.703 . . . . 0.0 109.893 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 t -56.09 168.82 0.45 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.214 -0.929 . . . . 0.0 109.881 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -103.38 35.6 2.53 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.532 -0.73 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.76 173.01 42.5 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.922 -1.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.641 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 40.0 t -79.61 -61.18 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.63 -0.669 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -71.89 -28.42 63.49 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.95 -50.78 53.9 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.532 -0.73 . . . . 0.0 109.411 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.28 -49.45 77.8 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.81 -0.556 . . . . 0.0 110.42 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 41.0 t -56.01 -45.2 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.625 -0.672 . . . . 0.0 110.415 -179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 3' ' ' LEU . 29.3 mt -69.21 -24.33 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.429 -0.794 . . . . 0.0 109.841 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -38.48 71.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.356 -0.84 . . . . 0.0 109.614 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.7 mm -76.65 -30.26 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.722 . . . . 0.0 109.554 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -40.95 98.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.706 . . . . 0.0 109.43 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.16 -35.35 56.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.583 -0.698 . . . . 0.0 109.385 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.69 -34.59 73.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.54 -0.725 . . . . 0.0 109.816 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.23 -34.7 55.92 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.3 mt -84.71 3.36 37.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.662 -0.649 . . . . 0.0 110.903 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.79 -53.06 69.66 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 120.944 -1.097 . . . . 0.0 110.408 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.23 -21.43 11.92 Favored 'Trans proline' 0 N--CA 1.5 1.858 1 C-N-CA 125.976 4.451 . . . . 0.0 110.151 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.76 -29.61 62.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.372 -0.83 . . . . 0.0 109.612 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 pt -97.94 -23.03 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.516 -0.74 . . . . 0.0 110.124 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -96.48 28.16 3.47 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.384 -0.823 . . . . 0.0 109.912 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -105.0 29.51 6.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.457 -0.777 . . . . 0.0 109.422 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.0 46.85 1.67 Allowed Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.845 -1.974 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.664 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.1 t -77.9 -33.48 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.662 -0.649 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.02 -33.17 74.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.651 -0.655 . . . . 0.0 109.687 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.509 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.55 -52.33 65.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.423 -0.798 . . . . 0.0 109.694 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.87 -49.77 67.77 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 0.0 110.626 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.1 t -53.98 -33.98 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.594 -0.691 . . . . 0.0 110.602 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 4' ' ' ALA . 33.5 mt -72.78 -34.87 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.364 -0.835 . . . . 0.0 109.736 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.99 -37.82 86.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.527 -0.733 . . . . 0.0 109.373 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.3 mm -76.51 -28.59 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.557 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.29 -41.29 94.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.516 -0.74 . . . . 0.0 109.291 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -35.91 62.62 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.578 -0.701 . . . . 0.0 109.149 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.87 74.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.513 -0.742 . . . . 0.0 109.503 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.11 -35.79 66.64 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.9 mt -85.66 13.51 6.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.69 -0.631 . . . . 0.0 111.027 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -69.99 -54.23 10.17 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.004 -1.06 . . . . 0.0 109.476 -179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.689 ' O ' HG22 ' A' ' 19' ' ' THR . 39.3 Cg_endo -78.98 -29.49 3.27 Favored 'Trans proline' 0 N--CA 1.499 1.829 1 C-N-CA 125.808 4.339 . . . . 0.0 109.513 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.8 -28.17 60.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.57 -0.706 . . . . 0.0 109.563 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 18' ' ' ILE . 41.3 mm -114.73 8.63 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.535 -0.728 . . . . 0.0 110.406 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 16' ' ' PRO . 4.3 t -61.17 139.32 58.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.041 -1.037 . . . . 0.0 109.604 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -104.24 27.03 8.14 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.618 -0.676 . . . . 0.0 109.919 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.04 131.1 1.49 Allowed Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.861 -1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.595 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 t -70.71 -29.82 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.576 -0.702 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.5 -32.77 74.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.606 -0.684 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.54 69.47 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.422 -0.799 . . . . 0.0 109.781 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.63 -47.8 73.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.644 -0.66 . . . . 0.0 110.259 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -53.88 -37.68 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.754 -0.591 . . . . 0.0 110.597 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -73.14 -31.25 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.37 -0.831 . . . . 0.0 109.564 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.4 -36.0 81.74 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.47 -0.769 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 55.0 mt -79.08 -30.62 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.631 -0.668 . . . . 0.0 109.537 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.4 t80 -63.39 -45.61 90.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.505 -0.747 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.5 -36.53 79.04 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -26.17 68.18 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.775 -0.578 . . . . 0.0 109.937 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.1 -48.77 32.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.468 -0.77 . . . . 0.0 109.909 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 10' ' ' TYR . 2.4 mp -83.39 -5.77 59.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.502 -0.749 . . . . 0.0 110.916 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -54.5 42.0 Favored Pre-proline 0 N--CA 1.495 1.81 0 O-C-N 121.041 -1.037 . . . . 0.0 109.838 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.451 ' HA ' HG22 ' A' ' 19' ' ' THR . 38.2 Cg_endo -76.22 -23.31 11.97 Favored 'Trans proline' 0 N--CA 1.501 1.913 1 C-N-CA 125.841 4.361 . . . . 0.0 110.14 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.89 64.82 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.42 -0.8 . . . . 0.0 109.705 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD12 ' O ' ' A' ' 14' ' ' LEU . 21.6 mt -76.12 -49.43 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.434 -0.791 . . . . 0.0 109.534 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 16' ' ' PRO . 7.3 t -61.36 163.95 6.08 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.531 -0.731 . . . . 0.0 109.713 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -104.42 32.12 4.24 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.539 -0.726 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.28 142.53 16.22 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.861 -1.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.646 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.05 -33.16 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.6 -0.688 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.5 mm? -61.71 -31.38 71.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.618 -0.676 . . . . 0.0 109.483 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.15 -50.16 71.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 109.644 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.81 -50.16 73.21 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.749 -0.595 . . . . 0.0 110.53 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 9' ' ' ILE . 26.0 t -53.7 -49.88 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.518 -0.739 . . . . 0.0 110.491 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.79 -28.52 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.4 -0.812 . . . . 0.0 109.451 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -63.97 -42.91 97.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.508 -0.745 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 6' ' ' VAL . 10.1 mt -65.42 -31.22 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -45.63 92.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.59 -0.694 . . . . 0.0 109.408 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -67.19 -34.41 77.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.565 -0.709 . . . . 0.0 109.287 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.25 -32.22 66.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.676 -0.64 . . . . 0.0 109.973 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.77 -40.0 49.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.626 -0.671 . . . . 0.0 109.376 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.5 mm? -85.26 10.03 13.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.7 -0.625 . . . . 0.0 111.013 -179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -67.72 -53.42 21.7 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.99 -1.069 . . . . 0.0 110.2 -179.266 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 15' ' ' SER . 37.8 Cg_endo -76.73 -15.84 16.84 Favored 'Trans proline' 0 N--CA 1.499 1.823 1 C-N-CA 125.85 4.367 . . . . 0.0 110.522 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.1 -35.17 37.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.332 -0.855 . . . . 0.0 109.641 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 tt -81.75 -39.32 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.526 -0.734 . . . . 0.0 109.597 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.47 158.45 23.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.529 -0.732 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -102.61 30.75 4.47 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.522 -0.736 . . . . 0.0 109.353 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.61 -106.76 3.43 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.914 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.4 t -65.75 -28.72 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.574 -0.704 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.21 -33.97 75.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.458 -0.776 . . . . 0.0 109.671 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.14 66.75 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.539 -0.726 . . . . 0.0 109.995 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.98 70.41 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.559 -0.713 . . . . 0.0 110.41 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.9 t -50.96 -40.33 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.544 -0.722 . . . . 0.0 110.77 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.2 -37.94 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.384 -0.822 . . . . 0.0 109.377 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -61.84 -36.42 81.14 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.608 -0.683 . . . . 0.0 109.681 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.39 -30.17 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.574 -0.704 . . . . 0.0 109.671 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -40.98 93.8 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.465 -0.772 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.35 -34.72 61.2 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.571 -0.705 . . . . 0.0 109.271 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.0 81.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.583 -0.698 . . . . 0.0 109.92 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.09 -35.01 69.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.6 -0.688 . . . . 0.0 109.347 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HG ' ' HB3' ' A' ' 17' ' ' ALA . 7.1 tp -84.23 6.89 20.97 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.597 -0.69 . . . . 0.0 110.911 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.816 ' O ' HG23 ' A' ' 19' ' ' THR . 0.4 OUTLIER -59.43 -54.68 53.62 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.892 -1.13 . . . . 0.0 110.201 -179.423 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -75.27 -17.61 18.83 Favored 'Trans proline' 0 N--CA 1.501 1.922 1 C-N-CA 125.847 4.364 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.464 ' HB3' ' HG ' ' A' ' 14' ' ' LEU . . . -76.78 -31.5 57.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.338 -0.851 . . . . 0.0 109.566 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.1 3.44 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.476 -0.765 . . . . 0.0 110.751 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 15' ' ' SER . 0.8 OUTLIER -58.39 115.34 2.92 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.938 -1.101 . . . . 0.0 109.749 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -99.0 33.49 2.35 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.515 -0.74 . . . . 0.0 109.363 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.48 -78.72 0.21 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.87 -1.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.686 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 37.0 t -72.48 -34.78 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.618 -0.676 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -35.11 78.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.536 -0.727 . . . . 0.0 109.597 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.8 71.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.484 -0.76 . . . . 0.0 109.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.08 70.75 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.616 -0.677 . . . . 0.0 110.188 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.1 t -55.03 -35.24 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.722 -0.611 . . . . 0.0 110.474 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.56 -32.47 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.44 -0.787 . . . . 0.0 109.82 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -68.9 -37.48 79.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.521 -0.737 . . . . 0.0 109.644 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -76.23 -29.61 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.626 -0.672 . . . . 0.0 109.544 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -51.95 57.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.587 -0.695 . . . . 0.0 109.18 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.18 -36.12 83.03 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.576 -0.702 . . . . 0.0 109.276 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.97 -27.9 69.18 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.654 -0.654 . . . . 0.0 109.787 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.52 -26.56 38.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.495 -0.753 . . . . 0.0 109.949 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.08 -13.17 57.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.496 -0.753 . . . . 0.0 110.625 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -54.57 54.11 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.127 -0.983 . . . . 0.0 110.054 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -76.7 -25.16 9.58 Favored 'Trans proline' 0 N--CA 1.5 1.886 1 C-N-CA 125.78 4.32 . . . . 0.0 109.949 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.01 -30.34 67.63 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.497 -0.752 . . . . 0.0 109.721 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.8 tt -90.91 -31.74 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.454 -0.779 . . . . 0.0 109.713 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -94.34 143.06 26.72 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.534 -0.729 . . . . 0.0 109.655 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -98.79 31.62 2.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.568 -0.708 . . . . 0.0 109.151 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.98 -128.92 1.94 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.873 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.64 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 6' ' ' VAL . 33.9 t -80.11 -46.57 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.591 -0.693 . . . . 0.0 109.491 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.33 -35.44 75.64 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.516 -0.74 . . . . 0.0 109.803 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.43 -49.15 64.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.564 -0.71 . . . . 0.0 109.649 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.39 -50.18 62.97 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.667 -0.646 . . . . 0.0 110.95 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 2' ' ' VAL . 22.9 t -54.59 -54.44 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.486 -0.759 . . . . 0.0 110.614 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.6 mm -60.79 -23.56 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.804 . . . . 0.0 109.972 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.43 -39.63 67.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.414 -0.804 . . . . 0.0 109.969 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -70.77 -36.74 66.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.581 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.89 -42.11 98.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.516 -0.74 . . . . 0.0 109.281 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -68.46 -35.24 77.29 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.13 83.17 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.72 -0.612 . . . . 0.0 109.78 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.17 -27.02 47.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.604 -0.685 . . . . 0.0 109.696 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.709 HD23 HD11 ' A' ' 18' ' ' ILE . 7.7 tp -85.17 10.06 13.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.499 -0.751 . . . . 0.0 111.136 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.407 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.2 t -61.32 -51.89 74.69 Favored Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.041 -1.037 . . . . 0.0 110.154 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 15' ' ' SER . 38.2 Cg_endo -77.0 -16.0 16.17 Favored 'Trans proline' 0 N--CA 1.501 1.957 1 C-N-CA 125.775 4.316 . . . . 0.0 110.503 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.567 ' HB3' ' HG ' ' A' ' 14' ' ' LEU . . . -77.48 -27.45 51.96 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.215 -0.928 . . . . 0.0 109.768 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.709 HD11 HD23 ' A' ' 14' ' ' LEU . 60.6 mt -106.7 -24.24 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.403 -0.81 . . . . 0.0 110.118 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.8 m -90.16 -55.51 3.58 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.416 -0.802 . . . . 0.0 109.592 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -96.95 28.91 3.28 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.504 -0.747 . . . . 0.0 109.873 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.43 -91.87 0.05 OUTLIER Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.805 -1.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.613 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t -79.96 -56.27 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.24 -31.98 73.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.592 -0.693 . . . . 0.0 109.516 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.64 -51.01 71.22 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.565 -0.71 . . . . 0.0 109.775 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.9 -49.69 68.01 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.625 -0.672 . . . . 0.0 110.597 -179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.413 ' HA ' HD12 ' A' ' 9' ' ' ILE . 24.0 t -52.75 -47.87 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.62 -0.675 . . . . 0.0 110.629 -179.262 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.75 -32.19 53.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.398 -0.814 . . . . 0.0 109.683 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -64.14 -44.34 92.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.472 -0.767 . . . . 0.0 109.432 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 6' ' ' VAL . 19.7 mt -63.7 -29.61 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.566 -0.709 . . . . 0.0 109.163 179.676 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -62.63 -45.75 91.43 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.468 -0.77 . . . . 0.0 109.165 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -64.94 -35.67 81.9 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.03 -28.26 69.97 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.725 -0.61 . . . . 0.0 109.584 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.16 -26.2 42.75 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.462 -0.773 . . . . 0.0 109.924 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mp -81.21 -20.27 41.45 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.334 -0.854 . . . . 0.0 110.528 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.404 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.2 t -58.93 -54.52 55.66 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.171 -0.956 . . . . 0.0 110.056 -179.522 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 15' ' ' SER . 38.2 Cg_endo -75.05 -21.47 15.72 Favored 'Trans proline' 0 N--CA 1.502 1.999 1 C-N-CA 125.731 4.287 . . . . 0.0 110.16 179.777 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.518 ' O ' HD13 ' A' ' 18' ' ' ILE . . . -71.83 -28.88 63.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 179.765 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.606 ' O ' HG22 ' A' ' 18' ' ' ILE . 41.5 mm -127.72 16.36 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.501 -0.75 . . . . 0.0 110.359 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.4 t -63.74 -32.38 73.86 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.98 -1.075 . . . . 0.0 109.473 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -104.16 33.17 3.59 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.619 -0.676 . . . . 0.0 109.26 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.51 -163.5 10.44 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.953 -1.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.601 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 6' ' ' VAL . 23.3 t -79.46 -39.25 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.553 -0.717 . . . . 0.0 109.48 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.89 -35.48 78.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.572 -0.705 . . . . 0.0 109.567 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.32 -52.0 67.13 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.566 -0.709 . . . . 0.0 109.712 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.0 -49.74 72.79 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.683 -0.635 . . . . 0.0 110.203 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 2' ' ' VAL . 26.0 t -52.27 -42.03 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.685 -0.635 . . . . 0.0 110.631 -179.463 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 4' ' ' ALA . 36.8 mt -63.31 -36.85 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.43 -0.794 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -62.55 -40.78 97.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.643 -0.661 . . . . 0.0 109.653 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -71.93 -24.69 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.667 -0.646 . . . . 0.0 109.689 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -68.76 -39.01 80.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 109.222 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -76.29 -34.78 59.08 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.717 -0.614 . . . . 0.0 109.407 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.19 87.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.646 -0.659 . . . . 0.0 109.931 -179.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.95 -60.69 2.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.573 -0.705 . . . . 0.0 109.685 -179.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -85.54 42.54 0.96 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.525 -0.734 . . . . 0.0 110.951 -178.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.418 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -70.83 -53.25 9.18 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 120.949 -1.094 . . . . 0.0 109.444 179.761 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 15' ' ' SER . 38.1 Cg_endo -77.43 -28.52 5.49 Favored 'Trans proline' 0 N--CA 1.498 1.744 1 C-N-CA 125.815 4.343 . . . . 0.0 109.575 179.831 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.04 73.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.491 -0.756 . . . . 0.0 108.977 179.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 pt -138.16 33.16 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.694 -0.629 . . . . 0.0 109.652 179.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 t -57.38 -28.73 63.45 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.451 -0.781 . . . . 0.0 110.075 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -101.14 39.23 1.43 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.453 -0.779 . . . . 0.0 109.515 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.23 125.52 1.74 Allowed Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.809 -1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.668 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 t -67.92 -24.04 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.62 -0.675 . . . . 0.0 109.795 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 3' ' ' LEU . 10.0 mp -58.8 -39.08 80.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.361 -0.837 . . . . 0.0 109.909 -179.768 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.0 -50.41 72.17 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.516 -0.74 . . . . 0.0 109.568 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.13 -48.57 64.77 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.66 -0.65 . . . . 0.0 110.785 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.11 -36.17 61.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.615 -0.678 . . . . 0.0 110.102 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.6 mt -71.75 -26.28 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.384 -0.823 . . . . 0.0 109.84 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -75.38 -44.66 43.65 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.426 -0.796 . . . . 0.0 110.101 -179.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.2 mm -72.18 -29.37 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.44 -0.788 . . . . 0.0 109.859 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.13 -53.4 45.75 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.516 -0.74 . . . . 0.0 109.34 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -36.34 79.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.523 -0.736 . . . . 0.0 109.161 179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.59 71.66 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.711 -0.618 . . . . 0.0 109.53 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.78 -25.98 60.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.623 -0.673 . . . . 0.0 109.678 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -81.81 -15.78 53.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.433 -0.792 . . . . 0.0 110.689 -179.62 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.4 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -64.09 -52.61 54.36 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.117 -0.989 . . . . 0.0 110.219 -179.31 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 15' ' ' SER . 37.4 Cg_endo -75.89 -26.59 9.39 Favored 'Trans proline' 0 N--CA 1.5 1.874 1 C-N-CA 125.636 4.224 . . . . 0.0 109.682 -179.809 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -30.22 71.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.506 -0.746 . . . . 0.0 109.058 179.322 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 pt -137.16 27.67 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.533 -0.73 . . . . 0.0 109.748 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 t -60.81 143.82 53.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.43 -0.794 . . . . 0.0 109.669 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -105.41 35.5 2.82 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.597 -0.689 . . . . 0.0 109.545 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.8 79.18 1.16 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.92 -1.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.662 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 t -77.72 -15.13 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.65 -0.656 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 3' ' ' LEU . 2.1 mm? -57.93 -30.73 66.18 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.066 -1.021 . . . . 0.0 109.963 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.07 65.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.475 -0.766 . . . . 0.0 109.593 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.64 76.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.711 -0.618 . . . . 0.0 110.252 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.1 t -51.33 -33.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.545 -0.722 . . . . 0.0 110.937 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.3 mt -71.44 -38.25 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.359 -0.838 . . . . 0.0 109.627 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -64.48 -36.66 84.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.538 -0.726 . . . . 0.0 109.679 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mm -79.55 -24.09 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.508 -0.745 . . . . 0.0 109.871 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -70.44 -40.65 73.63 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.414 -0.804 . . . . 0.0 109.164 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -79.46 -34.88 41.13 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.644 -0.66 . . . . 0.0 109.372 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.42 95.55 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.545 -0.722 . . . . 0.0 109.91 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.32 -21.73 39.01 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.59 -0.693 . . . . 0.0 110.468 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 10' ' ' TYR . 5.4 mt -81.96 -22.59 36.58 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.338 -0.851 . . . . 0.0 110.724 -179.322 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.36 -54.52 31.29 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.322 -0.861 . . . . 0.0 110.091 -179.324 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -76.43 -22.12 12.68 Favored 'Trans proline' 0 N--CA 1.5 1.881 1 C-N-CA 125.834 4.356 . . . . 0.0 110.049 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.24 -26.86 61.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.433 -0.792 . . . . 0.0 109.764 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' ' 14' ' ' LEU . 2.6 tt -103.3 -16.44 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.417 -0.802 . . . . 0.0 110.44 -179.634 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -58.72 144.93 42.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.135 -0.978 . . . . 0.0 109.841 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -99.26 34.15 2.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.522 -0.736 . . . . 0.0 109.578 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.86 95.84 1.99 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.871 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.617 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 29.3 t -75.11 -24.6 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.547 -0.721 . . . . 0.0 109.925 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -37.55 86.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.437 -0.789 . . . . 0.0 109.692 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.24 64.63 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.456 -0.778 . . . . 0.0 109.826 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.59 72.55 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.574 -0.704 . . . . 0.0 110.625 -179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 45.2 t -53.23 -51.76 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.563 -0.711 . . . . 0.0 110.671 -179.111 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 mm -62.68 -26.99 42.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.428 -0.795 . . . . 0.0 109.876 -179.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.67 -38.18 80.19 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.378 -0.826 . . . . 0.0 109.718 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mt -80.6 -23.67 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.686 -0.634 . . . . 0.0 109.949 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -70.0 -44.45 69.34 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.212 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -77.22 -37.18 53.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.619 -0.676 . . . . 0.0 109.299 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.62 68.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.806 -0.559 . . . . 0.0 109.981 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.45 -31.9 26.34 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.526 -0.734 . . . . 0.0 110.341 -179.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.6 mm? -81.41 -20.79 39.71 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.493 -0.754 . . . . 0.0 110.683 -179.082 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.4 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -63.04 -55.59 36.02 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.215 -0.928 . . . . 0.0 110.1 -179.445 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HA ' ' OG1' ' A' ' 19' ' ' THR . 37.9 Cg_endo -75.71 -27.54 8.81 Favored 'Trans proline' 0 N--CA 1.501 1.93 1 C-N-CA 125.913 4.408 . . . . 0.0 109.901 -179.699 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -32.81 71.38 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.598 -0.689 . . . . 0.0 109.307 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.505 ' O ' HG22 ' A' ' 18' ' ' ILE . 45.1 mt -143.13 42.7 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.553 -0.717 . . . . 0.0 109.537 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -60.21 -61.22 2.77 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.32 -0.862 . . . . 0.0 109.373 179.84 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -100.84 33.6 2.75 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.613 -0.68 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.85 174.17 44.12 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.843 -1.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.661 ' O ' HG23 ' A' ' 6' ' ' VAL . 10.9 p -73.68 -33.76 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.596 -0.69 . . . . 0.0 109.356 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -43.12 87.12 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.468 -0.77 . . . . 0.0 109.064 179.852 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.03 -49.01 76.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.606 -0.684 . . . . 0.0 109.465 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.9 -48.04 64.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.702 -0.624 . . . . 0.0 110.879 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 2' ' ' VAL . 45.5 t -54.39 -51.37 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.65 -0.656 . . . . 0.0 110.233 -179.351 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.94 -25.88 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.488 -0.758 . . . . 0.0 109.701 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -66.79 -42.23 86.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.85 . . . . 0.0 109.429 -179.866 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.3 mt -67.56 -30.67 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.618 -0.676 . . . . 0.0 109.288 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.62 -46.67 87.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.576 -0.703 . . . . 0.0 109.129 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.31 -36.12 82.65 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.31 76.49 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.838 -0.539 . . . . 0.0 109.847 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.18 -33.48 74.53 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.536 -0.727 . . . . 0.0 109.376 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.73 -13.97 55.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.668 -0.645 . . . . 0.0 110.456 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.54 -54.04 60.11 Favored Pre-proline 0 N--CA 1.498 1.926 0 O-C-N 121.065 -1.022 . . . . 0.0 110.324 -179.253 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -75.65 -24.2 12.05 Favored 'Trans proline' 0 N--CA 1.499 1.831 1 C-N-CA 125.702 4.268 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.68 66.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.456 -0.777 . . . . 0.0 109.53 179.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 pt -91.58 -29.37 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.43 -0.794 . . . . 0.0 109.705 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -96.02 165.97 12.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.499 -0.751 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -99.24 32.76 2.62 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.527 -0.733 . . . . 0.0 109.524 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.77 95.19 0.19 Allowed Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.849 -1.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.599 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.5 p -78.19 -42.42 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.511 -0.743 . . . . 0.0 109.552 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.451 ' N ' HG13 ' A' ' 2' ' ' VAL . 3.1 tp -76.08 -35.24 59.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.605 -0.684 . . . . 0.0 109.353 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.24 73.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.628 -0.67 . . . . 0.0 109.35 179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.83 73.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.796 -0.565 . . . . 0.0 110.903 -179.591 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 2' ' ' VAL . 34.1 t -52.7 -56.74 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.535 -0.728 . . . . 0.0 110.581 -179.028 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.47 -23.67 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.48 -0.762 . . . . 0.0 109.465 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -37.17 85.57 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.133 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.4 mt -73.0 -31.8 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.33 -47.4 82.35 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.673 -0.642 . . . . 0.0 109.502 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -33.81 73.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.596 -0.69 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -39.37 80.36 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 109.652 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.85 -56.47 15.14 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -84.93 13.77 5.61 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.601 -0.687 . . . . 0.0 111.004 -179.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -56.13 -50.93 84.58 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 120.892 -1.13 . . . . 0.0 110.57 -179.742 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.459 ' HA ' HG22 ' A' ' 19' ' ' THR . 39.0 Cg_endo -78.83 -20.9 10.09 Favored 'Trans proline' 0 N--CA 1.5 1.905 1 C-N-CA 125.821 4.348 . . . . 0.0 110.326 -179.832 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.42 -24.56 46.1 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.303 -0.873 . . . . 0.0 110.055 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.7 mt -90.55 -45.51 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.371 -0.83 . . . . 0.0 109.796 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.459 HG22 ' HA ' ' A' ' 16' ' ' PRO . 8.6 t -61.99 170.96 1.89 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.503 -0.748 . . . . 0.0 109.869 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.06 39.32 1.5 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.596 -0.69 . . . . 0.0 109.14 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.14 -37.22 0.96 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.914 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.589 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.61 -28.12 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.498 -0.752 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.06 -35.51 77.15 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.484 -0.76 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.82 72.28 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.568 -0.707 . . . . 0.0 109.675 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.35 75.22 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.679 -0.638 . . . . 0.0 110.258 -179.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.72 -33.02 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.667 -0.646 . . . . 0.0 110.37 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.7 mm -73.68 -34.0 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.87 -37.85 87.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.483 -0.76 . . . . 0.0 109.497 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -80.17 -25.0 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.552 -0.718 . . . . 0.0 109.76 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -67.74 -44.72 76.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.4 -0.813 . . . . 0.0 109.245 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -36.21 75.3 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.91 86.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.582 -0.699 . . . . 0.0 109.823 -179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.46 -22.7 37.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.23 -179.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.0 5.79 20.95 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.415 -0.803 . . . . 0.0 110.866 -179.21 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -70.11 -55.84 7.81 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.889 -1.132 . . . . 0.0 109.694 -179.6 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD3' ' CB ' ' A' ' 15' ' ' SER . 38.8 Cg_endo -77.34 -24.85 8.92 Favored 'Trans proline' 0 N--CA 1.499 1.838 1 C-N-CA 125.779 4.319 . . . . 0.0 109.649 179.282 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.26 -34.7 77.99 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.503 -0.748 . . . . 0.0 109.379 179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.5 mt -82.0 -37.42 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.573 -0.705 . . . . 0.0 109.264 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -23.08 65.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.654 -0.654 . . . . 0.0 110.045 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -96.67 37.15 1.3 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.295 -0.878 . . . . 0.0 109.786 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.82 83.19 0.12 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.797 -2.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.678 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.2 t -74.68 -30.22 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.575 -0.703 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.99 -30.77 70.48 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.493 -0.754 . . . . 0.0 109.542 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.06 -50.59 67.78 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.668 -0.645 . . . . 0.0 109.363 179.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.15 66.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.63 -0.669 . . . . 0.0 110.485 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.0 t -54.1 -45.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.655 -0.653 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -63.99 -31.02 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -44.34 96.76 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.734 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.4 mt -64.22 -30.08 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.441 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -62.24 -42.74 99.59 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.72 -34.03 77.24 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.2 -27.25 69.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.747 -0.596 . . . . 0.0 109.395 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.59 -47.22 49.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.755 -179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 pp -81.88 -0.92 45.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.535 -0.728 . . . . 0.0 110.868 -179.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.55 -57.46 24.79 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 120.992 -1.068 . . . . 0.0 109.746 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -72.17 -18.73 26.81 Favored 'Trans proline' 0 N--CA 1.503 2.03 1 C-N-CA 125.802 4.335 . . . . 0.0 110.178 179.759 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.19 -23.88 40.7 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.319 -0.863 . . . . 0.0 109.862 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 pt -142.86 32.25 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.265 -0.897 . . . . 0.0 110.484 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -54.86 -24.52 23.59 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.217 -0.927 . . . . 0.0 110.317 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -96.46 37.27 1.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.415 -0.803 . . . . 0.0 109.659 -179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.7 57.96 2.22 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.591 -1.403 . . . . 0.0 109.591 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.829 -1.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.644 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 3' ' ' LEU . 10.2 p -64.26 -40.11 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.536 -0.728 . . . . 0.0 109.569 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 4' ' ' ALA . 2.8 pp -59.85 -32.28 70.54 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.003 -179.757 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.824 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -59.45 -51.54 69.45 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.423 -0.798 . . . . 0.0 109.765 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.65 -50.05 69.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.62 -0.675 . . . . 0.0 110.415 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.483 ' HA ' HD12 ' A' ' 9' ' ' ILE . 24.6 t -53.0 -32.25 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.648 -0.658 . . . . 0.0 110.703 -179.424 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 4' ' ' ALA . 23.9 mt -67.86 -41.2 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.431 -0.793 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -42.64 99.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.539 -0.726 . . . . 0.0 109.217 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 6' ' ' VAL . 18.3 mt -68.22 -27.07 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.676 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.4 -46.14 84.57 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.586 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.76 -36.89 85.76 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.18 -25.04 65.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.63 -42.9 70.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.41 -0.806 . . . . 0.0 109.393 -179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.885 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 3.9 mm? -80.7 81.24 7.0 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 19' ' ' THR . 0.6 OUTLIER -78.52 -49.57 1.72 Allowed Pre-proline 0 N--CA 1.494 1.759 0 O-C-N 121.604 -0.685 . . . . 0.0 110.605 -179.693 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 15' ' ' SER . 37.7 Cg_endo -76.76 -24.29 10.27 Favored 'Trans proline' 0 N--CA 1.499 1.831 1 C-N-CA 125.585 4.19 . . . . 0.0 110.036 -179.764 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.885 ' HB3' ' HB3' ' A' ' 14' ' ' LEU . . . -73.29 -46.03 52.13 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.437 -0.79 . . . . 0.0 109.016 179.453 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.7 pt -66.98 -31.89 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.618 -0.676 . . . . 0.0 109.301 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 15' ' ' SER . 60.0 p -67.78 -169.62 0.13 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.595 -0.69 . . . . 0.0 109.39 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -96.89 37.29 1.31 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.501 -0.749 . . . . 0.0 109.599 -179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.7 64.7 0.58 Allowed Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.886 -1.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_