data_1r7f_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 1r7f _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.72 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 1.1 mp . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 121.412 0.625 . . . . 10.0 109.905 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 53.2 ttp180 -56.44 -49.47 74.49 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.237 -0.915 . . . . 10.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -27.52 68.55 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.415 -0.803 . . . . 10.0 110.719 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.72 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -56.37 -31.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.388 -0.82 . . . . 10.0 110.812 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.474 ' CD1' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -68.21 -12.49 61.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.229 -0.919 . . . . 10.0 111.162 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 15.1 t70 -79.01 -34.96 43.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 10.0 108.804 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.96 -30.31 67.81 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.632 -0.668 . . . . 10.0 109.644 178.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.539 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.4 mm -97.44 -39.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.136 -0.978 . . . . 10.0 110.175 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.96 -39.79 72.35 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.323 -0.861 . . . . 10.0 111.2 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -39.21 84.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.271 -0.893 . . . . 10.0 110.744 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.1 t -77.4 -29.37 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.355 -0.841 . . . . 10.0 110.787 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 2.9 39.31 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.214 -0.929 . . . . 10.0 111.406 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -49.91 56.75 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 10.0 110.379 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.448 -0.783 . . . . 10.0 109.457 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -64.81 -34.15 77.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.616 -0.677 . . . . 10.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -70.81 -49.11 49.92 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.383 -0.823 . . . . 10.0 110.067 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -56.22 -42.09 76.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.526 -0.734 . . . . 10.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.548 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 67.1 t90 -62.6 -43.82 97.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.556 -0.715 . . . . 10.0 109.918 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.548 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -70.93 -38.98 72.91 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.443 -0.786 . . . . 10.0 110.459 179.699 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -60.39 -33.35 72.35 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.463 -0.773 . . . . 10.0 110.192 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.11 -39.09 50.78 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 10.0 110.094 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.65 -33.93 69.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 10.0 110.419 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.496 1.865 0 O-C-N 121.43 -0.794 . . . . 10.0 110.929 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.5 2.039 0 CA-C-O 120.786 0.327 . . . . 10.0 110.805 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -82.11 -16.0 51.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 10.0 109.859 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -100.03 -30.27 12.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.556 -0.715 . . . . 10.0 110.212 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' TRP . 13.0 tt -61.55 -29.82 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.223 -0.923 . . . . 10.0 110.59 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -62.34 -41.28 98.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.123 -0.986 . . . . 10.0 109.804 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.59 -39.3 76.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.552 -0.718 . . . . 10.0 109.603 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.4 t90 -57.61 -54.31 48.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.717 -0.614 . . . . 10.0 109.544 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.72 -35.21 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.181 -0.949 . . . . 10.0 110.141 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.44 -33.25 67.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.48 -0.763 . . . . 10.0 110.169 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.05 -45.88 17.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.72 . . . . 10.0 110.084 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.07 -34.54 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.614 -0.679 . . . . 10.0 110.806 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -9.25 59.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.195 -0.941 . . . . 10.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.5 t -82.95 -60.22 2.23 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.101 -1.0 . . . . 10.0 110.29 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.97 -31.9 67.34 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.304 -0.873 . . . . 10.0 109.539 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -65.82 -39.57 91.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.595 -0.691 . . . . 10.0 109.531 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -62.58 -35.16 78.63 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.744 . . . . 10.0 109.578 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -69.46 -39.89 77.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.593 -0.692 . . . . 10.0 109.648 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.583 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 52.4 t90 -59.81 -47.01 87.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.631 -0.668 . . . . 10.0 110.067 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.583 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -68.74 -43.63 75.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.493 -0.755 . . . . 10.0 110.318 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -41.93 98.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.517 -0.739 . . . . 10.0 109.923 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.93 75.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.436 -0.79 . . . . 10.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -75.83 -21.55 57.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.542 -0.724 . . . . 10.0 110.659 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 O-C-N 121.539 -0.726 . . . . 10.0 110.249 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.404 ' O ' HG21 ' A' ' 8' ' ' ILE . 2.3 mp . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 120.955 0.407 . . . . 10.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -25.45 65.48 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.224 -0.923 . . . . 10.0 110.703 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.57 -35.12 10.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.353 -0.842 . . . . 10.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.511 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 2.6 tp -63.77 -27.48 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.194 -0.941 . . . . 10.0 110.935 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.403 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 52.3 m0 -66.66 -41.49 88.12 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.077 -1.014 . . . . 10.0 109.822 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.78 -48.22 77.81 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.643 -0.661 . . . . 10.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.511 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.05 -37.99 81.46 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.539 -0.726 . . . . 10.0 109.814 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.4 mm -66.59 -37.76 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.3 -0.875 . . . . 10.0 109.817 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.62 -31.73 72.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.458 -0.776 . . . . 10.0 109.884 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -71.95 -46.91 55.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.463 -0.773 . . . . 10.0 110.309 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.1 p -73.71 -24.63 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.343 -0.848 . . . . 10.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -83.02 -41.16 19.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.232 -0.917 . . . . 10.0 110.454 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 p -61.06 -48.93 79.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.326 -0.859 . . . . 10.0 110.649 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -37.84 72.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.506 -0.746 . . . . 10.0 109.646 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.32 -37.65 74.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.689 -0.632 . . . . 10.0 110.167 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.437 -0.789 . . . . 10.0 110.13 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -60.27 -42.64 95.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 10.0 109.685 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.571 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.6 t90 -68.97 -41.16 78.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.612 -0.68 . . . . 10.0 109.658 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -67.79 -41.04 83.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.458 -0.776 . . . . 10.0 110.701 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.82 -46.09 90.33 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.398 -0.814 . . . . 10.0 110.199 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.91 73.08 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.609 -0.682 . . . . 10.0 110.376 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -30.83 62.96 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.321 -0.862 . . . . 10.0 110.409 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.944 0 O-C-N 121.457 -0.777 . . . . 10.0 110.62 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 8' ' ' ILE . 1.2 mt . . . . . 0 N--CA 1.505 2.311 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -22.96 63.56 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.227 -0.921 . . . . 10.0 109.228 178.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -99.23 -17.07 18.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.759 -0.588 . . . . 10.0 110.382 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 5' ' ' LEU . 8.3 tt -89.27 -26.39 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.14 -0.975 . . . . 10.0 111.041 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -68.14 -41.46 81.61 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.269 -0.895 . . . . 10.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.01 -40.46 70.16 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.574 -0.704 . . . . 10.0 109.945 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.598 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.68 -52.04 67.05 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mm -69.16 -27.74 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.582 -0.699 . . . . 10.0 110.568 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.09 -38.49 91.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.275 -0.891 . . . . 10.0 110.172 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -44.38 62.01 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.374 -0.829 . . . . 10.0 109.697 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.96 -33.66 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.563 -0.711 . . . . 10.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.92 -27.61 62.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.291 -0.88 . . . . 10.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.21 -53.69 52.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.296 -0.877 . . . . 10.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -40.81 78.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.262 -0.899 . . . . 10.0 109.622 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -68.5 -19.75 64.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.566 -0.709 . . . . 10.0 110.517 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 7.79 37.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.204 -0.935 . . . . 10.0 110.227 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.9 -41.65 6.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.908 . . . . 10.0 110.097 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.469 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.1 p-90 -64.76 -26.66 68.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.334 -0.854 . . . . 10.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -65.93 -38.41 88.6 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.244 -0.91 . . . . 10.0 109.783 178.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.16 -32.65 74.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.611 -0.68 . . . . 10.0 109.919 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.25 72.97 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.37 -0.831 . . . . 10.0 109.764 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -29.89 19.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.485 -0.759 . . . . 10.0 109.844 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 O-C-N 121.299 -0.876 . . . . 10.0 110.854 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.6 pp . . . . . 0 N--CA 1.51 2.538 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -103.25 -50.4 3.48 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.192 -0.943 . . . . 10.0 109.45 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -101.38 -13.22 18.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 10.0 110.633 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 16.3 tt -59.7 -31.48 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.212 -0.93 . . . . 10.0 110.189 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.93 -38.5 37.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.503 -0.748 . . . . 10.0 109.513 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.52 -37.64 88.09 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.657 -0.652 . . . . 10.0 110.007 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.456 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.66 -39.92 90.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.491 -0.755 . . . . 10.0 109.436 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.8 mm -83.95 -28.74 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.236 -0.915 . . . . 10.0 110.29 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.95 -40.87 62.75 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.21 -0.931 . . . . 10.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.42 -51.13 60.21 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.301 -0.874 . . . . 10.0 110.621 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.65 -32.77 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.419 -0.801 . . . . 10.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.87 -46.53 12.91 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.169 -0.957 . . . . 10.0 109.389 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -59.66 -39.67 85.17 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.61 -0.682 . . . . 10.0 109.823 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.92 -41.66 96.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.51 -35.92 68.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.815 -0.553 . . . . 10.0 109.612 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.66 -44.48 77.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.708 . . . . 10.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.0 m -62.5 -42.34 99.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.374 -0.829 . . . . 10.0 109.902 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.411 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 10.7 t90 -70.07 -41.46 74.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.43 -0.794 . . . . 10.0 110.13 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 HD12 ' CZ3' ' A' ' 22' ' ' TRP . 11.1 tp -71.87 -41.79 67.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.78 . . . . 10.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -28.74 70.08 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.303 -0.873 . . . . 10.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.76 91.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.29 -0.881 . . . . 10.0 110.344 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -94.88 -39.29 10.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 10.0 110.249 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.496 1.831 0 O-C-N 121.415 -0.803 . . . . 10.0 110.131 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 120.625 0.25 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -55.58 -35.37 65.71 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.54 -0.725 . . . . 10.0 109.948 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -102.79 -34.96 8.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.782 -0.574 . . . . 10.0 109.916 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.39 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.492 -0.755 . . . . 10.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -67.92 -40.42 83.38 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.265 -0.897 . . . . 10.0 109.671 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -37.01 84.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.697 -0.627 . . . . 10.0 110.137 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -41.91 89.55 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.348 -0.845 . . . . 10.0 109.466 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mm -74.33 -36.41 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.3 -0.875 . . . . 10.0 109.968 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.42 -39.46 71.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.338 -0.851 . . . . 10.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.27 -48.97 47.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 10.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.95 -32.73 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.195 -0.941 . . . . 10.0 110.726 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.58 -42.31 18.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.123 -0.986 . . . . 10.0 109.653 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 t -62.0 -43.71 98.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 10.0 110.001 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.61 -40.12 90.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.271 -0.893 . . . . 10.0 109.602 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -67.87 -37.3 81.64 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.519 -0.738 . . . . 10.0 110.224 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -78.24 -37.57 44.91 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.48 -0.763 . . . . 10.0 110.217 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -60.76 -43.42 98.03 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.747 . . . . 10.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -65.1 -49.83 68.46 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.404 -0.81 . . . . 10.0 110.01 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -61.07 -40.78 94.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.366 -0.834 . . . . 10.0 110.351 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -72.0 -36.23 69.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 10.0 110.02 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.69 76.34 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 10.0 109.947 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -7.76 51.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.414 -0.804 . . . . 10.0 110.796 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 O-C-N 121.4 -0.812 . . . . 10.0 110.546 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.51 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 5.3 mp . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 120.939 0.399 . . . . 10.0 110.535 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.18 -25.55 65.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.338 -0.851 . . . . 10.0 110.841 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.97 -29.31 9.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.324 -0.86 . . . . 10.0 110.678 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 9.8 tt -61.45 -36.41 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.161 -0.962 . . . . 10.0 110.442 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -66.18 -37.16 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.312 -0.868 . . . . 10.0 109.233 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.13 -35.57 73.71 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 10.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.03 -49.25 75.36 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.608 -0.682 . . . . 10.0 109.298 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mt -72.29 -36.79 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.368 -0.832 . . . . 10.0 109.786 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 t -57.54 -42.87 83.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.642 -0.661 . . . . 10.0 110.511 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -58.16 -40.64 81.92 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.509 -0.744 . . . . 10.0 110.105 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.52 -23.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 10.0 110.3 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp -70.64 -22.13 62.55 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.268 -0.895 . . . . 10.0 111.152 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -58.26 8.93 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.126 -0.984 . . . . 10.0 110.622 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.441 ' O ' HG21 ' A' ' 21' ' ' THR . 1.1 m-20 -62.29 -31.43 72.03 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.232 -0.918 . . . . 10.0 109.774 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -70.86 -36.28 72.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 109.482 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -33.85 27.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.492 -0.755 . . . . 10.0 110.327 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.441 HG21 ' O ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -61.4 -34.75 75.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.314 -0.866 . . . . 10.0 110.165 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.577 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 47.0 t90 -74.14 -43.68 56.53 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.445 -0.784 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.577 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -68.55 -36.2 78.46 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.511 -0.743 . . . . 10.0 110.227 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -41.91 98.94 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.462 -0.774 . . . . 10.0 109.892 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.21 67.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.567 -0.708 . . . . 10.0 110.306 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -32.85 21.98 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.359 -0.838 . . . . 10.0 110.258 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.498 1.925 0 O-C-N 121.526 -0.734 . . . . 10.0 110.754 179.69 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 120.597 0.237 . . . . 10.0 111.444 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -80.05 -44.11 20.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.004 -1.06 . . . . 10.0 109.687 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.5 -34.13 21.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.57 -0.706 . . . . 10.0 110.707 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 8.1 tt -64.55 -28.56 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.251 -0.906 . . . . 10.0 110.841 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -68.53 -45.42 72.28 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.183 -0.948 . . . . 10.0 109.901 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.64 -39.97 92.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.423 -0.798 . . . . 10.0 109.919 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -55.56 -35.94 66.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.73 179.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.502 HG12 ' CD1' ' A' ' 11' ' ' TRP . 5.6 mm -89.56 -38.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.244 -0.91 . . . . 10.0 110.231 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 t -65.75 -42.97 90.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.407 -0.808 . . . . 10.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.54 -52.97 62.93 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.447 -0.783 . . . . 10.0 110.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.22 -35.02 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.526 -0.734 . . . . 10.0 110.177 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.1 -22.94 51.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 10.0 110.148 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -50.61 59.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.364 -0.835 . . . . 10.0 109.835 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.94 -41.02 86.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.395 -0.816 . . . . 10.0 108.953 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.01 -38.08 81.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.661 -0.649 . . . . 10.0 109.475 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -64.67 -39.42 93.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.524 -0.735 . . . . 10.0 109.595 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -58.93 -44.06 91.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.507 -0.746 . . . . 10.0 109.512 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -70.71 -42.65 70.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.653 -0.654 . . . . 10.0 109.675 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -40.92 98.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.584 -0.698 . . . . 10.0 110.451 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -62.64 -43.15 99.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.417 -0.802 . . . . 10.0 110.342 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.35 -37.51 71.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.461 -0.775 . . . . 10.0 110.438 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.25 -34.92 66.11 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 10.0 110.592 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.913 0 O-C-N 121.344 -0.847 . . . . 10.0 110.774 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.44 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 120.738 0.304 . . . . 10.0 110.536 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.15 -49.72 76.77 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.942 . . . . 10.0 110.036 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -33.56 74.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.776 . . . . 10.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.471 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 1.4 tt -79.52 -8.82 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.119 -0.988 . . . . 10.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -43.98 8.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.984 -1.072 . . . . 10.0 109.78 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.3 -40.34 95.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.415 -0.803 . . . . 10.0 109.82 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.44 -33.4 72.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.546 -0.721 . . . . 10.0 109.683 179.432 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.446 HG12 ' NE1' ' A' ' 11' ' ' TRP . 4.6 mm -78.37 -30.79 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.34 -0.85 . . . . 10.0 110.263 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.71 -43.64 65.58 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.294 -0.879 . . . . 10.0 110.669 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -41.87 92.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 10.0 110.153 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -78.5 -24.98 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.861 . . . . 10.0 110.168 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -43.9 97.96 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.235 -0.915 . . . . 10.0 110.289 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.6 p -63.93 -40.53 96.66 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.291 -0.881 . . . . 10.0 109.383 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.15 -39.28 89.5 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -69.11 -37.73 78.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.75 -0.594 . . . . 10.0 109.988 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -61.21 -44.34 97.44 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.364 -0.835 . . . . 10.0 109.884 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.1 m -61.65 -36.94 82.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.532 -0.73 . . . . 10.0 109.686 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.537 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.9 t90 -68.78 -39.45 80.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.625 -0.672 . . . . 10.0 109.733 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.537 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.2 -28.7 69.92 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.58 -0.7 . . . . 10.0 110.237 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -84.02 -41.36 17.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.447 -0.783 . . . . 10.0 109.72 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.64 82.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.582 -0.699 . . . . 10.0 109.849 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -17.93 34.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.47 -0.769 . . . . 10.0 110.285 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.041 0 O-C-N 121.735 -0.603 . . . . 10.0 110.308 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.502 2.169 0 CA-C-O 120.395 0.14 . . . . 10.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -38.48 64.79 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.091 -1.006 . . . . 10.0 110.221 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.6 -19.2 58.1 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 10.0 110.626 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt -93.84 -28.45 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.242 -0.911 . . . . 10.0 109.652 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -64.43 -46.75 81.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.557 -0.715 . . . . 10.0 110.486 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.32 -39.14 92.07 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.33 -0.856 . . . . 10.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.524 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.39 -29.69 66.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.766 . . . . 10.0 110.199 179.579 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.524 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.1 mm -99.06 -34.39 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.135 -0.978 . . . . 10.0 110.55 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 t -77.6 -40.38 42.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.324 -0.86 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.74 -35.0 79.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.18 -0.95 . . . . 10.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.26 -28.72 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.316 -0.865 . . . . 10.0 110.357 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.47 -32.16 24.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.275 -0.891 . . . . 10.0 111.043 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -56.83 -47.2 80.87 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.223 -0.923 . . . . 10.0 110.478 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.4 -36.31 79.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.292 -0.88 . . . . 10.0 109.136 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -20.22 63.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.723 -0.611 . . . . 10.0 110.496 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -8.54 49.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.226 -0.921 . . . . 10.0 110.268 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 m -80.24 -50.57 10.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.353 -0.842 . . . . 10.0 110.024 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.512 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 26.4 p-90 -68.4 -25.04 64.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.317 -0.864 . . . . 10.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -76.09 -38.98 56.34 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.264 -0.898 . . . . 10.0 109.884 179.097 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -65.45 -41.51 93.34 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.515 -0.741 . . . . 10.0 109.761 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.26 90.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.652 -0.655 . . . . 10.0 110.298 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -70.65 -30.59 67.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.775 . . . . 10.0 110.447 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 27' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.496 1.858 0 O-C-N 121.418 -0.801 . . . . 10.0 110.14 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.477 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.8 tp . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 120.617 0.246 . . . . 10.0 111.601 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.45 96.57 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.054 -1.029 . . . . 10.0 110.54 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.11 -3.31 29.46 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.25 -0.906 . . . . 10.0 111.297 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 9.4 tt -71.6 -20.42 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 120.969 -1.082 . . . . 10.0 110.689 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -33.59 75.93 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.265 -0.897 . . . . 10.0 109.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.45 -37.68 62.85 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.623 -0.673 . . . . 10.0 110.065 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.19 -45.51 87.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.637 -0.665 . . . . 10.0 109.248 178.825 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.16 -26.26 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.402 -0.811 . . . . 10.0 109.987 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -56.75 -43.99 81.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.415 -0.803 . . . . 10.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.81 -39.44 80.07 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.642 -0.661 . . . . 10.0 109.988 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.65 -30.06 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.414 -0.804 . . . . 10.0 110.053 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -43.12 51.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.418 -0.801 . . . . 10.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 p -58.26 -44.02 88.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.351 -0.843 . . . . 10.0 110.406 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.1 -31.97 73.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.391 -0.818 . . . . 10.0 109.594 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -83.12 -7.41 59.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.633 -0.667 . . . . 10.0 110.851 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -113.77 11.48 18.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.029 -1.044 . . . . 10.0 111.311 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -116.26 -55.66 2.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.092 -1.005 . . . . 10.0 109.211 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.541 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 56.1 t90 -73.42 -39.13 65.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.586 -0.696 . . . . 10.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -74.46 -37.5 63.21 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.587 -0.695 . . . . 10.0 110.693 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -66.41 -38.1 86.7 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.391 -0.818 . . . . 10.0 110.564 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.26 92.96 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.821 . . . . 10.0 110.399 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -91.38 -14.53 30.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 10.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.929 0 O-C-N 121.444 -0.785 . . . . 10.0 109.916 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.479 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.5 2.047 0 CA-C-O 120.713 0.292 . . . . 10.0 111.279 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -64.57 -23.59 67.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.146 -0.971 . . . . 10.0 110.796 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -107.19 -32.81 7.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.288 -0.882 . . . . 10.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.479 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 12.1 tt -60.5 -34.27 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.123 -0.985 . . . . 10.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -69.77 -38.5 76.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.196 -0.94 . . . . 10.0 109.25 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.86 -39.97 96.04 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.681 -0.637 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -40.92 96.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.418 -0.802 . . . . 10.0 109.798 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.85 -27.83 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.272 -0.892 . . . . 10.0 110.237 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.39 -37.16 52.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.207 -0.933 . . . . 10.0 109.824 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.81 -50.46 66.61 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.572 -0.705 . . . . 10.0 110.117 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.94 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.543 -0.723 . . . . 10.0 110.405 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tp -69.64 -43.74 72.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.243 -0.911 . . . . 10.0 110.002 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -64.63 -37.47 87.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.761 . . . . 10.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -40.55 94.23 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.02 -38.31 88.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.691 -0.63 . . . . 10.0 110.082 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -74.28 -41.62 60.91 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.416 -0.802 . . . . 10.0 110.06 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -65.69 -39.52 91.35 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.527 -0.733 . . . . 10.0 109.833 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -63.41 -45.03 92.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.422 -0.799 . . . . 10.0 109.991 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -40.73 98.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.461 -0.774 . . . . 10.0 110.247 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -73.72 -31.27 63.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.348 -0.845 . . . . 10.0 110.152 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.04 65.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.521 -0.737 . . . . 10.0 109.558 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 -25.18 35.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.606 -0.684 . . . . 10.0 109.793 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 121.451 0.644 . . . . 10.0 111.052 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.838 0.352 . . . . 10.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.37 7.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.143 -0.973 . . . . 10.0 109.31 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.19 -26.93 62.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 10.0 110.356 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.1 tt -62.03 -33.7 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.269 -0.894 . . . . 10.0 109.818 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -67.63 -38.52 84.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.275 -0.891 . . . . 10.0 108.984 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.81 -0.556 . . . . 10.0 110.136 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -37.33 84.43 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.441 -0.787 . . . . 10.0 109.79 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mm -76.66 -40.59 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.291 -0.881 . . . . 10.0 109.841 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.63 -38.9 89.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.582 -0.699 . . . . 10.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -51.82 65.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.101 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.44 -34.44 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.414 -0.804 . . . . 10.0 109.867 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -43.85 95.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.436 -0.79 . . . . 10.0 109.443 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -62.31 -41.48 98.56 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.433 -0.792 . . . . 10.0 109.052 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.13 -23.58 66.64 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.547 -0.721 . . . . 10.0 110.276 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -97.03 -18.98 19.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.465 -0.772 . . . . 10.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -108.65 7.77 26.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.026 -1.046 . . . . 10.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -102.73 -38.51 7.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 10.0 110.269 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.447 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 41.0 p-90 -65.23 -26.08 67.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.258 -0.901 . . . . 10.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -70.44 -51.32 30.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.102 -0.999 . . . . 10.0 109.952 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -56.81 -24.61 52.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.458 -0.776 . . . . 10.0 110.903 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.17 -36.16 12.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.206 -0.934 . . . . 10.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -98.08 20.32 12.54 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.268 -0.895 . . . . 10.0 111.272 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.143 -0.973 . . . . 10.0 110.045 179.621 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 120.648 0.261 . . . . 10.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 3.8 mpt_? -57.61 -39.59 77.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.359 -0.838 . . . . 10.0 109.864 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.92 -22.43 62.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.663 -0.648 . . . . 10.0 110.572 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.11 -30.68 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.256 -0.903 . . . . 10.0 109.608 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 53.6 m0 -60.68 -39.03 86.91 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.354 -0.841 . . . . 10.0 110.334 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.21 -47.86 72.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.496 -0.752 . . . . 10.0 110.24 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -34.84 64.99 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.508 -0.745 . . . . 10.0 109.981 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mm -73.31 -40.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 10.0 109.962 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.58 -37.37 86.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.473 -0.767 . . . . 10.0 110.35 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.79 -50.93 71.48 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.508 -0.745 . . . . 10.0 109.812 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.38 -31.92 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.508 -0.745 . . . . 10.0 109.464 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -41.64 83.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.494 -0.754 . . . . 10.0 109.35 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 m -63.86 -41.13 97.86 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.575 -0.703 . . . . 10.0 109.415 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.28 -40.52 90.7 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.63 -38.09 89.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.698 -0.626 . . . . 10.0 109.895 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -62.19 -42.0 98.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.32 -0.863 . . . . 10.0 109.815 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -67.14 -36.53 82.06 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.522 -0.736 . . . . 10.0 109.82 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.501 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 5.9 t90 -67.2 -37.15 83.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.467 -0.771 . . . . 10.0 109.645 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.501 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -57.24 -33.34 67.47 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.597 -0.69 . . . . 10.0 110.179 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.94 -31.84 21.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.35 -0.844 . . . . 10.0 109.641 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.97 65.66 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 10.0 109.356 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -28.19 35.21 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.674 -0.641 . . . . 10.0 109.526 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.14 0 CA-C-O 121.53 0.681 . . . . 10.0 111.011 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.476 ' HB3' ' CE3' ' A' ' 9' ' ' TRP . 1.6 mm? . . . . . 0 N--CA 1.5 2.032 0 CA-C-O 121.092 0.473 . . . . 10.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -81.0 -55.76 4.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.179 -0.951 . . . . 10.0 109.611 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -103.02 18.06 22.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.451 -0.781 . . . . 10.0 110.004 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.509 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 2.4 mt -107.26 -38.22 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.274 -0.892 . . . . 10.0 109.81 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.476 ' CE3' ' HB3' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -58.95 -41.4 87.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.487 -0.758 . . . . 10.0 110.199 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -47.61 77.59 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.561 -0.712 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.509 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -61.8 -33.74 74.67 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.561 -0.712 . . . . 10.0 109.722 179.638 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.415 HG12 ' NE1' ' A' ' 11' ' ' TRP . 5.3 mm -79.88 -34.64 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.286 -0.884 . . . . 10.0 109.77 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.3 t -59.59 -45.46 91.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.563 -0.711 . . . . 10.0 110.535 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.83 -48.01 80.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 10.0 109.809 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 70.2 t -62.75 -36.95 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.609 -0.682 . . . . 10.0 109.818 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -37.34 86.93 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.561 -0.712 . . . . 10.0 109.976 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -43.62 97.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.519 -0.738 . . . . 10.0 109.518 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.45 -39.6 91.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.627 -0.671 . . . . 10.0 109.245 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.79 -33.89 77.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.67 -0.644 . . . . 10.0 110.134 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -66.25 -46.81 75.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.36 -0.837 . . . . 10.0 109.64 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -63.47 -40.58 97.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 10.0 109.79 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.545 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 24.5 t90 -62.76 -43.36 99.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.664 -0.648 . . . . 10.0 109.925 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.545 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -60.52 -40.99 93.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.52 -0.738 . . . . 10.0 110.226 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -40.32 96.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 10.0 109.905 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.61 83.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 10.0 110.174 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -60.61 -34.44 74.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.553 -0.717 . . . . 10.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.629 -0.67 . . . . 10.0 110.175 179.736 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.5 2.03 0 CA-C-O 120.965 0.412 . . . . 10.0 110.392 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -34.84 72.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.459 -0.776 . . . . 10.0 110.279 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -30.01 11.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.563 -0.711 . . . . 10.0 110.425 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.98 -30.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.375 -0.828 . . . . 10.0 110.309 179.758 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -65.78 -37.85 87.43 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.202 -0.936 . . . . 10.0 109.404 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.65 -44.52 96.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.48 -0.763 . . . . 10.0 109.926 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -36.53 84.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.475 -0.765 . . . . 10.0 109.681 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.9 mm -75.98 -40.17 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.234 -0.916 . . . . 10.0 109.853 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 t -62.34 -32.55 73.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.43 -0.794 . . . . 10.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -50.95 70.38 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.303 -0.873 . . . . 10.0 109.911 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.47 -24.06 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.476 -0.765 . . . . 10.0 110.392 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.4 -24.9 34.18 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.205 -0.934 . . . . 10.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -56.12 17.43 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.169 -0.957 . . . . 10.0 110.608 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 21' ' ' THR . 3.9 p30 -61.39 -27.88 68.85 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.221 -0.925 . . . . 10.0 109.794 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -77.91 -38.11 46.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.413 -0.805 . . . . 10.0 109.619 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -77.88 -37.89 47.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 10.0 110.363 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 18' ' ' ASP . 1.5 t -60.69 -34.98 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.315 -0.866 . . . . 10.0 110.064 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -74.63 -44.02 52.55 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.79 . . . . 10.0 109.119 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.537 -0.727 . . . . 10.0 110.057 179.686 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -65.13 -28.96 69.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.529 -0.732 . . . . 10.0 110.415 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.01 79.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.261 -0.899 . . . . 10.0 109.741 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -11.91 41.39 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.51 -0.744 . . . . 10.0 110.661 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.502 -0.749 . . . . 10.0 110.221 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.482 ' HA ' HG23 ' A' ' 8' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 120.715 0.293 . . . . 10.0 110.607 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -65.9 -14.07 60.84 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.22 -0.925 . . . . 10.0 110.915 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.36 -42.6 3.3 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.192 -0.943 . . . . 10.0 109.876 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.482 HG23 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tt -64.04 -26.42 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.658 -0.651 . . . . 10.0 110.999 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -71.02 -23.79 62.23 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.181 -0.949 . . . . 10.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.422 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -78.35 -35.73 47.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.865 . . . . 10.0 109.404 179.248 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.438 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -64.2 -32.57 74.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.692 . . . . 10.0 109.43 178.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.2 mm -89.18 -31.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.189 -0.945 . . . . 10.0 110.272 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.82 -43.04 38.06 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.159 -0.963 . . . . 10.0 110.411 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.3 -45.79 91.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.33 -0.856 . . . . 10.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.05 -31.54 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.393 -0.817 . . . . 10.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 -23.0 30.48 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.298 -0.876 . . . . 10.0 110.172 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -62.31 -53.41 55.43 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.191 -0.943 . . . . 10.0 110.055 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -34.51 73.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.419 -0.801 . . . . 10.0 109.278 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.44 -36.46 60.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.694 -0.629 . . . . 10.0 110.453 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -70.82 -42.91 69.63 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.445 -0.785 . . . . 10.0 110.324 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.1 m -57.09 -42.71 81.26 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.739 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -70.6 -44.82 66.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.56 -0.713 . . . . 10.0 109.523 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -37.92 86.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.445 -0.784 . . . . 10.0 110.247 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -77.09 -38.33 52.61 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.438 -0.789 . . . . 10.0 109.974 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.45 87.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.473 -0.767 . . . . 10.0 109.625 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.0 tmtm? -84.43 -22.86 30.22 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.636 -0.665 . . . . 10.0 110.084 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.503 2.182 0 CA-C-O 121.579 0.704 . . . . 10.0 111.065 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.508 2.429 0 CA-C-O 120.748 0.309 . . . . 10.0 110.633 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.32 -30.93 52.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.415 -0.803 . . . . 10.0 109.995 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.7 -19.71 18.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.558 -0.713 . . . . 10.0 111.11 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 tp -61.32 -29.94 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.082 -1.011 . . . . 10.0 110.582 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -74.89 -37.24 62.17 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.246 -0.908 . . . . 10.0 109.293 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.663 -0.648 . . . . 10.0 109.735 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.412 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.44 -38.12 86.03 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.525 -0.734 . . . . 10.0 110.116 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.412 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.0 mm -81.09 -39.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.152 -0.967 . . . . 10.0 110.198 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.77 -39.41 91.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 10.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -63.9 -46.75 83.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.277 -0.89 . . . . 10.0 110.165 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.05 -36.94 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.502 -0.749 . . . . 10.0 109.995 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -44.8 79.89 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.426 -0.796 . . . . 10.0 110.378 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -40.31 96.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.381 -0.824 . . . . 10.0 109.763 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.02 -40.92 86.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.606 -0.684 . . . . 10.0 109.224 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.65 -37.86 87.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.674 -0.641 . . . . 10.0 109.877 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -71.93 -42.04 67.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.454 -0.779 . . . . 10.0 109.73 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 m -62.1 -41.34 98.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.61 -0.681 . . . . 10.0 109.617 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.7 t90 -63.25 -42.94 99.23 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.624 -0.672 . . . . 10.0 109.99 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.68 -38.67 91.99 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.304 -0.873 . . . . 10.0 110.538 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -72.96 -42.38 63.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.408 -0.807 . . . . 10.0 110.356 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.73 63.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.493 -0.754 . . . . 10.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -29.69 63.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.897 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.187 -0.946 . . . . 10.0 110.299 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 9' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 120.909 0.385 . . . . 10.0 110.383 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -34.09 59.25 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.511 -0.743 . . . . 10.0 110.295 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.59 -36.02 11.41 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.67 -0.644 . . . . 10.0 109.669 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.2 -30.73 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.579 -0.701 . . . . 10.0 110.68 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 41.5 m0 -68.14 -43.44 78.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.198 -0.939 . . . . 10.0 109.961 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.89 -39.84 94.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.56 -0.712 . . . . 10.0 110.204 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.512 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.42 -34.58 69.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.39 -0.819 . . . . 10.0 109.843 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.512 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.9 mm -91.57 -33.41 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.181 -0.95 . . . . 10.0 110.345 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.43 -46.25 64.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 10.0 110.268 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -37.13 75.26 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.389 -0.819 . . . . 10.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 p -86.27 -12.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.848 . . . . 10.0 111.639 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 20' ' ' LYS . 2.3 tt -108.55 -30.05 8.45 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.879 -1.138 . . . . 10.0 111.236 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -60.35 -46.13 91.02 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.109 -0.994 . . . . 10.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.75 -30.79 69.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.329 -0.857 . . . . 10.0 109.869 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.66 -40.48 16.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.57 -0.707 . . . . 10.0 110.452 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB2' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.44 -44.07 62.92 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.482 -0.761 . . . . 10.0 110.659 -179.668 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 m -59.36 -43.62 92.82 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.467 -0.771 . . . . 10.0 110.049 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -66.62 -43.55 84.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.407 -0.808 . . . . 10.0 109.808 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -39.71 79.42 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 10.0 110.045 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -69.39 -33.26 72.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 10.0 110.259 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.02 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.494 -0.754 . . . . 10.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -27.41 21.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 10.0 110.53 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.315 -0.866 . . . . 10.0 110.662 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.605 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 120.738 0.304 . . . . 10.0 111.164 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -60.48 -25.8 66.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 10.0 110.818 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -119.17 -29.99 5.08 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.301 -0.874 . . . . 10.0 110.908 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.605 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 5.7 tt -65.75 -24.85 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.163 -0.961 . . . . 10.0 111.126 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -32.69 72.78 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.084 -1.01 . . . . 10.0 109.718 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.08 -37.44 82.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.431 -0.793 . . . . 10.0 109.702 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.553 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -54.96 -45.83 74.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.447 -0.783 . . . . 10.0 109.226 178.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mp -84.75 -39.6 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.264 -0.897 . . . . 10.0 110.584 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 t -66.7 -44.29 82.1 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.399 -0.813 . . . . 10.0 111.114 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.63 -44.24 97.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.395 -0.815 . . . . 10.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.94 -37.44 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.507 -0.746 . . . . 10.0 110.143 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -38.28 89.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.493 -0.754 . . . . 10.0 110.283 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.53 88.22 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.434 -0.791 . . . . 10.0 110.164 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.88 -36.2 83.13 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.433 -0.792 . . . . 10.0 109.699 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.61 -14.83 59.54 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.523 -0.736 . . . . 10.0 110.706 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -30.52 10.81 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.089 -1.007 . . . . 10.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 t -61.26 -38.59 87.26 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.46 -0.775 . . . . 10.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -76.94 -28.91 55.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 10.0 109.965 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -45.01 89.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.482 -0.761 . . . . 10.0 109.555 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -73.07 -36.16 66.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.562 -0.711 . . . . 10.0 109.737 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.18 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.465 -0.772 . . . . 10.0 109.674 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -86.22 -23.52 26.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.492 -0.755 . . . . 10.0 110.017 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.919 0 O-C-N 121.555 -0.716 . . . . 10.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 120.841 0.353 . . . . 10.0 110.631 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -6.2 56.29 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.227 -0.921 . . . . 10.0 110.4 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -115.48 -37.96 3.88 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.391 -0.818 . . . . 10.0 109.737 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.9 tt -66.19 -22.45 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.443 -0.785 . . . . 10.0 110.997 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -63.01 -23.33 67.4 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.313 -0.867 . . . . 10.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.58 -36.71 83.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.243 -0.911 . . . . 10.0 109.456 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.9 -48.15 82.46 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.919 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.74 -27.31 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.876 . . . . 10.0 110.157 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.1 t -58.23 -45.44 87.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.36 -0.838 . . . . 10.0 110.26 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.76 -45.81 67.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 10.0 109.913 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 50.2 t -62.51 -34.87 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.566 -0.709 . . . . 10.0 110.103 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -32.97 73.98 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.43 -0.794 . . . . 10.0 110.178 179.574 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.498 -0.751 . . . . 10.0 109.731 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.74 -28.32 69.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.523 -0.736 . . . . 10.0 109.809 178.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -87.43 -24.19 24.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.428 -0.795 . . . . 10.0 110.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -93.77 -18.76 21.72 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.336 -0.852 . . . . 10.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -55.66 -35.32 65.84 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.239 -0.913 . . . . 10.0 110.084 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.407 ' HE3' HD22 ' A' ' 23' ' ' LEU . 82.4 t90 -70.37 -38.49 74.76 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.448 -0.782 . . . . 10.0 109.563 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.407 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.16 -39.44 78.87 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.525 -0.734 . . . . 10.0 109.597 179.435 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -64.77 -38.86 92.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.498 -0.751 . . . . 10.0 109.544 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -43.57 69.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 10.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.16 65.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 10.0 110.481 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.447 -0.783 . . . . 10.0 110.487 179.822 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.55 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 120.746 0.308 . . . . 10.0 110.983 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -66.44 -36.47 82.87 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.378 -0.826 . . . . 10.0 110.339 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -97.94 -21.44 16.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.823 . . . . 10.0 110.778 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.55 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -77.79 6.41 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.037 -1.039 . . . . 10.0 111.082 179.859 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -109.99 -47.6 3.31 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.076 -1.015 . . . . 10.0 109.036 178.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.06 -38.47 90.9 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.454 -0.779 . . . . 10.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.408 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -62.98 -23.08 67.26 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.527 -0.733 . . . . 10.0 110.171 179.177 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.408 HD11 ' CE2' ' A' ' 11' ' ' TRP . 1.4 tp -93.68 -18.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.394 -0.816 . . . . 10.0 110.691 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.32 -42.88 14.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.158 -0.964 . . . . 10.0 110.354 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.32 -45.47 80.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 10.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.59 -29.78 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.447 -0.783 . . . . 10.0 109.957 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -37.87 89.05 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.497 -0.752 . . . . 10.0 109.766 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -57.27 -49.84 74.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.735 . . . . 10.0 109.909 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.9 -43.69 69.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.667 -0.646 . . . . 10.0 109.593 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -39.78 71.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.642 -0.661 . . . . 10.0 110.046 179.098 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -63.71 -44.9 92.25 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -0.821 . . . . 10.0 109.923 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -58.59 -40.43 83.2 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.541 -0.724 . . . . 10.0 109.812 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 53.5 t90 -65.32 -42.72 92.67 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.579 -0.7 . . . . 10.0 109.79 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.98 -44.04 70.25 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.474 -0.766 . . . . 10.0 110.533 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.06 -39.36 93.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 10.0 110.252 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.06 -35.53 80.05 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.512 -0.742 . . . . 10.0 110.371 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -72.49 -31.51 65.44 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.357 -0.839 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 N--CA 1.497 1.901 0 O-C-N 121.416 -0.802 . . . . 10.0 110.228 -179.946 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 121.195 0.521 . . . . 10.0 110.608 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.19 -46.74 10.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.213 -0.93 . . . . 10.0 110.023 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -110.1 17.55 20.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.753 . . . . 10.0 110.823 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mt -107.01 -36.97 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.16 -0.963 . . . . 10.0 109.855 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 23.0 m0 -63.89 -44.68 92.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.551 -0.718 . . . . 10.0 110.318 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.45 -41.4 89.58 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.462 -0.774 . . . . 10.0 110.447 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.509 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.09 -31.51 71.19 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.51 -0.744 . . . . 10.0 110.477 179.896 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.509 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.8 mm -93.23 -42.76 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.1 -1.0 . . . . 10.0 110.607 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -63.83 -35.31 80.2 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.37 -0.832 . . . . 10.0 111.138 -179.551 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.79 -36.52 76.9 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.983 -1.073 . . . . 10.0 110.635 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.9 t -92.1 -22.71 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.403 -0.811 . . . . 10.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mt -89.72 -43.92 10.36 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.995 -1.065 . . . . 10.0 111.14 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -60.92 -47.66 85.39 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.354 -0.841 . . . . 10.0 110.617 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.15 -40.03 84.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.409 -0.807 . . . . 10.0 109.669 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.97 -34.86 78.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.606 -0.684 . . . . 10.0 110.1 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -44.82 68.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.386 -0.821 . . . . 10.0 109.771 179.475 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.52 -39.6 73.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.506 -0.746 . . . . 10.0 109.798 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.551 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 25.6 t90 -59.78 -41.99 92.33 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.538 -0.726 . . . . 10.0 110.129 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.49 -49.99 69.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 10.0 110.658 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -34.47 77.25 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.436 -0.79 . . . . 10.0 110.749 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -23.6 67.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.44 -0.788 . . . . 10.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 2.1 tppt? -108.41 -36.62 6.19 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.122 -0.986 . . . . 10.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 N--CA 1.497 1.9 0 O-C-N 121.288 -0.883 . . . . 10.0 110.425 -179.829 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.419 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.498 1.934 0 CA-C-O 120.731 0.301 . . . . 10.0 110.827 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -15.07 44.64 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.232 -0.918 . . . . 10.0 110.463 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.85 12.39 9.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.419 -0.8 . . . . 10.0 110.382 179.513 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.439 HG13 ' CZ3' ' A' ' 11' ' ' TRP . 6.2 tt -107.5 -34.15 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.12 -0.987 . . . . 10.0 110.709 179.364 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.407 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -72.62 -43.88 62.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.356 -0.84 . . . . 10.0 109.371 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 p-10 -55.48 -36.78 67.01 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.611 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -65.2 -51.01 63.66 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.52 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.71 -32.07 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.607 -0.683 . . . . 10.0 110.58 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -66.45 -38.24 86.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 10.0 110.199 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.05 -46.27 78.38 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.612 -0.68 . . . . 10.0 109.928 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.81 -29.26 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.654 -0.653 . . . . 10.0 110.257 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -28.84 42.7 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.36 -0.838 . . . . 10.0 110.103 179.39 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -48.7 72.37 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.334 -0.854 . . . . 10.0 110.08 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.423 ' O ' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -66.1 -23.16 66.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.295 -0.878 . . . . 10.0 109.941 179.084 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -38.13 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.418 -0.801 . . . . 10.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -79.98 -32.5 39.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.584 -0.698 . . . . 10.0 110.77 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 18' ' ' ASP . 6.1 t -56.98 -34.7 68.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.27 -0.894 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.554 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.9 t90 -66.86 -41.28 87.59 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.412 -0.805 . . . . 10.0 109.677 179.249 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -66.52 -42.17 87.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.449 -0.782 . . . . 10.0 110.284 179.64 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -41.63 84.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.538 -0.726 . . . . 10.0 110.402 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.48 73.88 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 10.0 110.479 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -43.23 18.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.372 -0.83 . . . . 10.0 110.105 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.508 -0.745 . . . . 10.0 110.316 179.816 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 8' ' ' ILE . 3.6 mm? . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.763 0.316 . . . . 10.0 110.994 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.23 -21.01 66.28 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.135 -0.978 . . . . 10.0 111.092 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -105.75 -19.87 13.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 10.0 111.116 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.452 HG21 ' CD1' ' A' ' 5' ' ' LEU . 11.7 tt -66.3 -17.63 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.185 -0.947 . . . . 10.0 111.412 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -35.96 82.05 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.028 -1.045 . . . . 10.0 109.642 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.28 -37.1 61.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.677 -0.639 . . . . 10.0 110.137 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.57 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -60.2 -49.62 76.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 10.0 109.27 178.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 2.6 mp -77.26 -29.29 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.364 -0.835 . . . . 10.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.6 t -59.39 -39.48 83.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.282 -0.886 . . . . 10.0 110.149 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.27 -56.58 10.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.512 -0.743 . . . . 10.0 110.068 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' A' ' 12' ' ' ILE . 10.5 p -62.22 -29.17 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.398 -0.814 . . . . 10.0 110.359 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 3.6 tt -62.18 -41.08 97.98 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.232 -0.918 . . . . 10.0 109.401 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -64.39 -37.91 89.18 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.606 -0.684 . . . . 10.0 109.372 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -61.74 -43.98 97.8 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 178.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -61.76 -35.52 78.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.678 -0.639 . . . . 10.0 109.506 178.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -38.38 90.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.397 -0.814 . . . . 10.0 109.09 178.622 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -63.49 -40.43 97.07 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -66.43 -40.1 89.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 10.0 109.269 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -38.11 72.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.567 -0.708 . . . . 10.0 109.538 179.251 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.8 89.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 10.0 109.139 178.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.75 84.58 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -66.93 -32.75 74.2 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.573 -0.704 . . . . 10.0 109.453 178.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.533 -0.729 . . . . 10.0 109.643 179.221 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' HG21 ' A' ' 8' ' ' ILE . 1.2 mp . . . . . 0 N--CA 1.5 2.026 0 CA-C-O 120.782 0.325 . . . . 10.0 111.596 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -35.12 11.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.18 -0.95 . . . . 10.0 109.506 179.017 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.44 -20.05 18.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.702 -0.624 . . . . 10.0 110.138 179.244 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.522 HG21 ' HG ' ' A' ' 5' ' ' LEU . 13.8 tt -61.6 -25.93 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.318 -0.864 . . . . 10.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -57.09 -35.47 69.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.272 -0.892 . . . . 10.0 110.529 -179.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.64 -39.23 57.73 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 10.0 110.331 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -60.18 -53.25 59.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.609 -0.682 . . . . 10.0 109.765 179.387 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.68 -30.52 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.449 -0.782 . . . . 10.0 110.269 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.63 -39.07 79.47 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.416 -0.802 . . . . 10.0 110.026 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -67.56 -48.72 66.11 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 10.0 109.686 179.257 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.84 -35.19 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.603 -0.686 . . . . 10.0 109.74 179.206 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.79 -26.21 66.85 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.49 -0.756 . . . . 10.0 110.078 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.425 -0.797 . . . . 10.0 109.726 179.224 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.83 -42.26 97.39 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.998 -0.742 . . . . 10.0 108.998 178.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.35 -35.76 80.04 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.732 -0.605 . . . . 10.0 109.737 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -61.82 -42.34 98.9 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.42 -0.8 . . . . 10.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 m -66.42 -42.69 87.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.604 -0.685 . . . . 10.0 109.692 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -62.43 -42.93 99.81 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.586 -0.696 . . . . 10.0 109.811 179.302 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 tp -71.77 -37.92 70.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.543 -0.723 . . . . 10.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -70.42 -33.85 71.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.284 -0.885 . . . . 10.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.69 85.08 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.461 -0.774 . . . . 10.0 110.212 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -22.64 31.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.457 -0.777 . . . . 10.0 110.489 179.628 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.083 0 O-C-N 121.799 -0.563 . . . . 10.0 110.472 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 CA-C-O 120.797 0.332 . . . . 10.0 110.973 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -28.43 68.21 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.213 -0.929 . . . . 10.0 109.804 179.044 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -100.47 -32.55 10.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.823 -0.548 . . . . 10.0 110.202 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 1.2 tt -59.63 -37.19 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.487 -0.758 . . . . 10.0 110.487 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -35.37 80.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.969 -1.082 . . . . 10.0 109.301 178.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.49 -41.88 92.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.744 -0.597 . . . . 10.0 109.827 179.06 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -63.58 -33.84 76.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 10.0 109.789 179.549 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.404 HG12 ' CD1' ' A' ' 11' ' ' TRP . 6.8 mm -79.97 -14.44 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 10.0 110.684 179.121 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t -94.04 -10.48 33.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.985 -1.072 . . . . 10.0 111.456 -179.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -102.25 -55.07 2.55 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.996 -1.065 . . . . 10.0 110.66 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.7 t -57.54 -37.42 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.51 -0.744 . . . . 10.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.37 -42.53 75.06 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.369 -0.832 . . . . 10.0 110.197 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 -40.55 83.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.466 -0.771 . . . . 10.0 109.649 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.84 -38.11 89.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.48 -0.763 . . . . 10.0 109.331 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.81 -39.33 61.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.625 -0.672 . . . . 10.0 110.196 179.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -68.39 -48.68 64.06 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.278 -0.889 . . . . 10.0 109.656 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.4 m -61.5 -41.15 96.86 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.587 -0.696 . . . . 10.0 109.83 179.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.495 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 12.7 t90 -65.81 -38.79 89.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 10.0 110.254 179.497 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.495 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -60.37 -47.98 83.72 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.362 -0.836 . . . . 10.0 110.264 -179.81 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -37.38 78.43 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 10.0 109.877 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.458 -0.776 . . . . 10.0 109.942 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.01 44.93 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.564 -0.71 . . . . 10.0 110.106 179.475 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.495 1.789 0 O-C-N 121.344 -0.848 . . . . 10.0 110.039 179.951 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.495 ' O ' HG22 ' A' ' 8' ' ' ILE . 4.5 tp . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.625 0.25 . . . . 10.0 111.234 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.4 74.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.968 -1.082 . . . . 10.0 110.079 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -79.55 -38.94 33.01 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.561 -0.712 . . . . 10.0 110.394 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 5' ' ' LEU . 6.5 tt -71.7 -26.69 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.218 -0.927 . . . . 10.0 110.649 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -60.09 -38.07 81.81 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.3 -0.875 . . . . 10.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.76 -39.36 68.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.564 -0.71 . . . . 10.0 110.213 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.28 -49.89 75.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.62 -0.675 . . . . 10.0 109.507 179.132 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 10.0 110.044 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -57.71 -42.18 83.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.465 -0.772 . . . . 10.0 110.203 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -47.23 82.72 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.477 -0.764 . . . . 10.0 109.691 179.314 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.99 -35.63 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.651 -0.655 . . . . 10.0 109.707 179.229 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.16 -42.43 80.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.503 -0.748 . . . . 10.0 109.777 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 10.0 109.511 179.081 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -41.1 87.88 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.805 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.57 -36.76 79.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.68 -0.638 . . . . 10.0 110.043 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.427 -0.796 . . . . 10.0 109.761 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.0 m -66.0 -39.9 90.69 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.576 -0.703 . . . . 10.0 109.517 179.017 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.582 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 45.7 t90 -65.53 -46.54 79.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.646 -0.659 . . . . 10.0 109.567 179.305 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.582 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -66.54 -44.17 83.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.48 -0.762 . . . . 10.0 109.982 179.69 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -60.98 -37.4 82.31 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.509 -0.744 . . . . 10.0 109.923 179.399 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.18 -35.59 61.56 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.527 -0.733 . . . . 10.0 110.233 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -80.53 -6.87 58.85 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.276 -0.89 . . . . 10.0 110.976 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.104 -0.997 . . . . 10.0 110.973 -179.615 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.501 2.082 0 N-CA-C 111.916 0.339 . . . . 10.0 111.916 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 ttm105 -68.03 -19.73 64.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.006 -1.059 . . . . 10.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.85 -30.51 8.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 10.0 111.238 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.408 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -60.58 -34.93 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.102 -0.999 . . . . 10.0 110.536 -179.681 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -79.75 -33.29 40.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.208 -0.932 . . . . 10.0 109.35 178.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.9 -38.36 88.05 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.616 -0.678 . . . . 10.0 110.034 179.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.514 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -56.14 -33.97 65.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.509 -0.744 . . . . 10.0 109.992 179.476 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.514 HG12 ' CD1' ' A' ' 11' ' ' TRP . 2.6 mm -94.14 -39.16 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.154 -0.966 . . . . 10.0 110.158 179.234 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.18 -43.25 74.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.437 -0.789 . . . . 10.0 110.889 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.28 -46.53 83.29 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.377 -0.827 . . . . 10.0 110.357 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.1 t -58.1 -36.6 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.373 -0.83 . . . . 10.0 110.235 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -40.08 33.85 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -0.774 . . . . 10.0 109.977 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.465 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 7.8 t -64.69 -41.02 96.34 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.41 -0.806 . . . . 10.0 110.365 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -30.73 71.34 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.24 -0.912 . . . . 10.0 109.626 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -78.08 -38.63 43.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.493 -0.754 . . . . 10.0 110.411 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -63.55 -28.35 69.88 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.383 -0.823 . . . . 10.0 110.671 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.528 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 83.3 m -82.91 -37.58 24.03 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.233 -0.917 . . . . 10.0 109.376 179.225 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.557 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 19.5 t90 -64.36 -40.96 96.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.561 -0.712 . . . . 10.0 109.559 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.95 -47.44 80.44 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.498 -0.751 . . . . 10.0 110.107 179.694 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -64.69 -45.88 84.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.559 -0.713 . . . . 10.0 109.61 179.34 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.93 94.85 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.655 -0.653 . . . . 10.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -60.63 -36.35 78.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.484 -0.76 . . . . 10.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.763 0 O-C-N 121.638 -0.664 . . . . 10.0 110.018 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.5 mm? . . . . . 0 N--CA 1.506 2.368 0 CA-C-O 120.677 0.275 . . . . 10.0 110.666 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -24.57 53.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.178 -0.951 . . . . 10.0 110.017 178.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -101.29 -35.23 9.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.462 -0.774 . . . . 10.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.452 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 10.4 tt -63.39 -31.93 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.134 -0.979 . . . . 10.0 110.332 179.728 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.446 ' CZ2' HD13 ' A' ' 5' ' ' LEU . 44.2 m0 -64.62 -37.63 88.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.407 -0.808 . . . . 10.0 109.659 179.531 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.98 -40.32 76.3 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.731 -0.606 . . . . 10.0 109.633 179.066 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.53 -49.93 74.74 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 179.136 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -73.62 -26.81 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.44 -0.788 . . . . 10.0 109.86 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.79 -46.5 81.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.419 -0.8 . . . . 10.0 110.235 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -45.69 65.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 109.885 179.347 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.01 -34.35 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.506 -0.746 . . . . 10.0 110.409 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -85.23 -27.47 26.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.421 -0.799 . . . . 10.0 110.757 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.4 t -59.35 -49.05 79.29 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.335 -0.853 . . . . 10.0 110.665 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -56.34 -39.47 72.89 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.311 -0.868 . . . . 10.0 109.557 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -64.87 -30.81 71.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.612 -0.68 . . . . 10.0 109.842 178.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.3 tptp -84.75 -30.12 24.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 10.0 110.237 179.474 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -53.81 -48.75 69.57 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.336 -0.853 . . . . 10.0 109.193 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.436 ' HE3' HD21 ' A' ' 23' ' ' LEU . 80.6 t90 -70.39 -39.19 74.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.491 -0.756 . . . . 10.0 108.982 178.489 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -58.9 -35.11 72.49 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.646 -0.659 . . . . 10.0 109.698 179.132 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -68.51 -34.48 75.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.379 -0.826 . . . . 10.0 109.903 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.48 -47.02 77.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.422 -0.799 . . . . 10.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.96 -19.85 53.78 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.359 -0.838 . . . . 10.0 111.231 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.965 0 O-C-N 121.017 -1.052 . . . . 10.0 110.132 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HA ' HG21 ' A' ' 8' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.075 0 CA-C-O 121.086 0.469 . . . . 10.0 111.303 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -96.14 -40.63 9.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.212 -0.93 . . . . 10.0 109.6 179.045 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.16 -18.97 18.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 10.0 110.34 179.424 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 5' ' ' LEU . 15.8 tt -62.4 -28.84 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.265 -0.897 . . . . 10.0 110.741 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -74.53 -41.23 60.98 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.189 -0.944 . . . . 10.0 109.583 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.15 -46.38 87.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.615 -0.678 . . . . 10.0 110.254 179.765 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -59.64 -36.78 77.06 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.543 -0.723 . . . . 10.0 109.978 179.746 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mm -71.7 -37.78 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.302 -0.874 . . . . 10.0 109.847 179.265 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.98 -35.68 81.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.586 -0.696 . . . . 10.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -42.17 89.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.538 -0.726 . . . . 10.0 109.914 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.1 t -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.5 -0.75 . . . . 10.0 109.681 179.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -42.51 96.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.445 -0.785 . . . . 10.0 110.489 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -63.26 -40.12 96.53 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.432 -0.792 . . . . 10.0 109.651 179.476 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -41.07 96.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 10.0 109.185 178.547 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -70.37 -36.85 74.39 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.674 -0.642 . . . . 10.0 109.608 178.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -43.88 92.16 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.63 -0.669 . . . . 10.0 109.641 179.225 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.6 m -61.42 -43.62 98.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.566 -0.709 . . . . 10.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.408 ' HE3' HD22 ' A' ' 23' ' ' LEU . 89.1 t90 -66.23 -38.88 88.96 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.623 -0.673 . . . . 10.0 109.784 179.072 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.36 -37.46 87.12 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.449 -0.782 . . . . 10.0 110.184 179.455 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -41.28 98.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.445 -0.785 . . . . 10.0 109.895 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.6 84.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.584 -0.698 . . . . 10.0 110.033 179.432 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -87.11 -6.21 58.75 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.464 -0.773 . . . . 10.0 110.716 179.45 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.162 0 O-C-N 121.714 -0.616 . . . . 10.0 110.646 -179.806 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.212 0 CA-C-O 120.601 0.239 . . . . 10.0 110.704 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.98 -28.16 55.87 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.458 -0.776 . . . . 10.0 110.38 179.519 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.48 -31.3 11.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.385 -0.822 . . . . 10.0 110.451 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.44 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 2.8 tp -68.93 -31.58 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.042 -1.036 . . . . 10.0 110.146 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -79.05 -39.69 33.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.241 -0.912 . . . . 10.0 109.033 178.744 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -41.62 96.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 10.0 110.175 179.418 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.44 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.1 -38.49 91.4 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.561 -0.712 . . . . 10.0 109.887 179.618 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 3.7 mm -68.87 -33.83 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.276 -0.89 . . . . 10.0 109.765 179.031 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -37.01 81.81 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.856 . . . . 10.0 110.087 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.96 -46.8 88.26 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.567 -0.708 . . . . 10.0 109.799 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -76.52 -24.51 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 110.107 179.283 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 1.1 tt -62.41 -46.47 88.42 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.337 -0.852 . . . . 10.0 110.315 179.704 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 p -64.12 -40.77 96.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.424 -0.798 . . . . 10.0 109.761 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -37.05 82.31 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.656 -0.653 . . . . 10.0 109.346 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.48 -38.76 77.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.718 . . . . 10.0 110.076 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.418 -0.801 . . . . 10.0 109.731 179.366 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -59.91 -40.98 90.67 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.622 -0.674 . . . . 10.0 109.79 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -62.82 -39.93 95.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 10.0 109.781 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -61.03 -46.22 91.61 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.509 -0.744 . . . . 10.0 109.777 179.348 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -63.5 -28.7 70.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.532 -0.73 . . . . 10.0 110.403 179.571 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.66 69.98 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.237 -0.914 . . . . 10.0 109.929 179.428 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.91 -34.38 9.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.508 -0.745 . . . . 10.0 110.133 179.269 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.496 1.841 0 O-C-N 121.383 -0.823 . . . . 10.0 110.623 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.508 2.449 0 CA-C-O 120.502 0.191 . . . . 10.0 111.123 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.482 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -64.23 -14.31 54.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.998 -1.064 . . . . 10.0 110.399 178.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -98.12 -39.33 8.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.384 -0.823 . . . . 10.0 109.871 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 5' ' ' LEU . 12.8 tt -61.28 -27.32 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 10.0 110.672 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.482 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 46.3 m0 -64.75 -46.09 83.65 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.195 -0.94 . . . . 10.0 109.529 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -45.37 78.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.711 -0.618 . . . . 10.0 109.743 179.086 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -61.31 -50.03 74.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.763 -0.585 . . . . 10.0 109.614 179.175 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mm -78.62 2.1 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.297 -0.877 . . . . 10.0 111.441 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -110.25 -46.13 3.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.86 -1.15 . . . . 10.0 109.882 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -44.74 21.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.519 -0.738 . . . . 10.0 110.502 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.39 -28.94 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.257 -0.902 . . . . 10.0 110.082 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -21.77 30.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 10.0 110.452 179.524 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -64.16 -61.93 1.94 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.169 -0.957 . . . . 10.0 110.128 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -56.85 -27.28 60.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.343 -0.848 . . . . 10.0 110.256 179.508 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -79.89 -34.54 39.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.302 -0.874 . . . . 10.0 110.432 179.312 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -85.28 -42.03 15.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.246 -0.909 . . . . 10.0 110.458 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.7 m -55.16 -46.54 75.74 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.476 -0.765 . . . . 10.0 109.963 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -65.18 -43.53 91.4 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.507 -0.746 . . . . 10.0 109.68 179.179 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -41.46 94.53 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.511 -0.743 . . . . 10.0 110.099 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -60.15 -41.25 92.34 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.504 -0.747 . . . . 10.0 110.19 179.621 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.37 80.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.746 . . . . 10.0 110.255 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -79.86 -27.11 40.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.386 -0.822 . . . . 10.0 110.771 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.932 0 O-C-N 121.374 -0.829 . . . . 10.0 110.654 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 6' ' ' ARG . 1.3 pt? . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 120.691 0.282 . . . . 10.0 110.923 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.496 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 1.1 mtt85 -76.05 -2.38 30.43 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.338 -0.851 . . . . 10.0 109.986 178.793 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.56 -39.69 2.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.481 -0.762 . . . . 10.0 109.332 179.332 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.486 HG23 ' HA ' ' A' ' 5' ' ' LEU . 10.0 tt -65.06 -33.28 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.59 -0.694 . . . . 10.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -63.54 -24.29 67.75 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.31 -34.13 77.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.311 178.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -68.75 -48.56 63.44 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.708 -0.62 . . . . 10.0 110.062 179.469 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.81 -48.26 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.333 -0.854 . . . . 10.0 110.394 -179.486 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -58.19 -42.31 85.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.622 -0.674 . . . . 10.0 110.484 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.73 -51.35 68.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.637 -0.665 . . . . 10.0 109.913 179.628 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.88 -32.29 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.475 -0.766 . . . . 10.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -37.67 86.94 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.505 -0.747 . . . . 10.0 110.424 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -60.55 -45.39 94.07 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.451 -0.78 . . . . 10.0 109.74 179.542 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.45 -44.15 97.62 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.543 -0.723 . . . . 10.0 109.116 178.781 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CE2' HD22 ' A' ' 23' ' ' LEU . 3.5 t80 -66.67 -34.1 77.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.781 -0.574 . . . . 10.0 110.404 179.388 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.98 92.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.389 -0.819 . . . . 10.0 110.033 179.823 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -68.07 -41.83 81.35 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.461 -0.774 . . . . 10.0 109.653 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -64.4 -44.07 92.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.566 -0.709 . . . . 10.0 110.057 179.506 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD22 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -63.26 -42.5 99.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.453 -0.779 . . . . 10.0 110.2 179.807 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -60.84 -41.37 95.66 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.434 -0.791 . . . . 10.0 110.535 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -23.55 66.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.446 -0.784 . . . . 10.0 110.824 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -105.75 -18.14 14.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.323 -0.861 . . . . 10.0 110.853 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.229 -0.92 . . . . 10.0 110.617 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.697 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.36 0.6 . . . . 10.0 110.564 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -73.46 -37.36 65.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.388 -0.82 . . . . 10.0 109.62 179.102 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.36 -20.15 60.19 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.674 -0.641 . . . . 10.0 110.449 179.263 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.697 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -52.44 -35.71 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.405 -0.809 . . . . 10.0 110.539 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -79.55 -40.39 29.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 10.0 109.196 179.308 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.88 -41.77 97.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.594 -0.691 . . . . 10.0 109.864 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -36.79 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.714 . . . . 10.0 109.675 179.395 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.442 HD11 ' HA ' ' A' ' 12' ' ' ILE . 4.2 mm -75.46 -33.48 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.249 -0.907 . . . . 10.0 109.953 179.014 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.84 -19.95 66.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 10.0 110.674 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -99.6 -14.73 18.86 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.37 -0.831 . . . . 10.0 110.96 179.682 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 p -105.06 -0.82 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.102 -0.999 . . . . 10.0 111.34 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -107.92 -37.11 6.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.942 -1.099 . . . . 10.0 111.231 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -57.14 -51.72 68.17 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.292 -0.88 . . . . 10.0 110.594 -179.508 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.6 -31.88 66.64 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.375 -0.828 . . . . 10.0 110.088 179.267 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -83.8 -12.19 55.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.516 -0.74 . . . . 10.0 110.873 179.508 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -109.68 3.62 21.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.112 -0.992 . . . . 10.0 110.76 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.7 m -99.16 -39.49 8.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.208 -0.932 . . . . 10.0 110.29 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.465 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.2 p-90 -64.22 -26.04 68.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.227 -0.921 . . . . 10.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.185 -0.947 . . . . 10.0 109.649 178.826 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.0 36.69 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.678 -0.639 . . . . 10.0 109.76 179.339 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.87 92.52 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.418 -0.801 . . . . 10.0 110.163 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -20.52 29.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.439 -0.788 . . . . 10.0 110.375 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.499 1.981 0 O-C-N 121.558 -0.713 . . . . 10.0 110.285 -179.675 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 121.183 0.516 . . . . 10.0 111.257 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -98.06 -40.3 8.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.261 -0.899 . . . . 10.0 109.709 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -19.86 17.99 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.618 -0.676 . . . . 10.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 tt -59.53 -34.04 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.155 -0.966 . . . . 10.0 110.347 179.779 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.432 ' HA ' HD13 ' A' ' 12' ' ' ILE . 44.6 m0 -67.03 -37.82 84.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.39 -0.819 . . . . 10.0 109.193 179.104 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -57.45 -35.97 70.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.701 -0.624 . . . . 10.0 109.596 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -62.3 -50.19 72.66 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.603 -0.686 . . . . 10.0 109.302 179.115 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 9' ' ' TRP . 3.5 mt -71.07 -32.0 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.307 -0.871 . . . . 10.0 109.659 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.0 t -55.68 -42.77 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.493 -0.754 . . . . 10.0 110.17 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.2 -43.9 60.62 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.4 -0.813 . . . . 10.0 109.858 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.76 -34.39 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 10.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.41 -35.48 46.97 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 10.0 110.58 -179.815 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.04 -51.12 65.04 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.214 -0.929 . . . . 10.0 110.555 -179.848 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.21 -40.09 94.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.403 -0.811 . . . . 10.0 109.011 178.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -32.92 74.49 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.655 -0.653 . . . . 10.0 109.897 178.878 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -65.63 -43.27 90.01 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.482 -0.761 . . . . 10.0 109.47 179.35 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -59.75 -42.14 92.54 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.62 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -65.96 -43.05 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 10.0 109.507 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -40.92 97.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.51 -0.744 . . . . 10.0 110.095 179.533 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.83 85.34 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.605 -0.684 . . . . 10.0 110.099 179.542 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.85 96.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.695 . . . . 10.0 109.561 179.225 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.18 -36.79 72.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 10.0 109.664 178.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.562 -0.711 . . . . 10.0 109.694 179.488 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 121.022 0.439 . . . . 10.0 111.181 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -44.74 61.57 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.12 -0.987 . . . . 10.0 110.352 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 11' ' ' TRP . 8.1 t70 -94.74 -25.93 16.48 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.465 -0.772 . . . . 10.0 110.654 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.418 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -57.46 -37.46 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.992 -1.068 . . . . 10.0 110.167 179.902 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -82.08 -34.2 29.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 10.0 109.131 179.002 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.38 -46.65 69.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.598 -0.689 . . . . 10.0 109.735 179.091 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.419 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -57.47 -37.85 73.56 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.627 -0.671 . . . . 10.0 109.424 179.341 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mm -68.21 -37.64 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.458 -0.776 . . . . 10.0 109.612 179.049 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.15 -39.55 94.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.444 -0.785 . . . . 10.0 110.244 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.3 -49.69 66.19 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.434 -0.791 . . . . 10.0 110.433 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.73 -28.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.415 -0.803 . . . . 10.0 110.972 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.43 -33.33 32.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 10.0 110.49 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -58.46 -46.85 85.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.36 -44.27 97.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.436 -0.79 . . . . 10.0 109.175 178.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.71 -29.09 66.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 10.0 110.268 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -47.39 65.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.394 -0.816 . . . . 10.0 110.048 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -60.56 -41.8 95.32 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.47 -0.768 . . . . 10.0 109.832 179.466 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.522 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 65.7 t90 -64.43 -45.4 87.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.569 -0.707 . . . . 10.0 109.896 179.355 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.522 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.82 -45.0 68.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.442 -0.786 . . . . 10.0 110.355 179.872 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -38.46 88.12 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.337 -0.852 . . . . 10.0 110.195 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.19 86.56 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.498 -0.751 . . . . 10.0 109.884 179.234 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -79.49 -32.44 42.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.517 -0.739 . . . . 10.0 110.294 179.532 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 10.0 110.351 -179.831 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 120.582 0.23 . . . . 10.0 110.597 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -40.43 66.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.364 -0.835 . . . . 10.0 110.17 179.451 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.56 -28.46 69.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.474 -0.766 . . . . 10.0 110.552 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.431 HG21 HD11 ' A' ' 8' ' ' ILE . 4.1 mt -81.06 -31.89 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.35 -0.844 . . . . 10.0 109.48 179.373 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.448 ' HA ' ' HE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -59.21 -41.06 87.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 10.0 110.535 -179.52 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.95 -35.94 82.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.471 -0.768 . . . . 10.0 110.237 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.523 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.71 -33.19 69.92 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.443 -0.786 . . . . 10.0 109.811 179.464 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.6 mm -94.07 -31.34 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.216 -0.928 . . . . 10.0 110.299 179.212 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -74.48 -45.59 45.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.316 -0.865 . . . . 10.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.11 -51.45 69.97 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.518 -0.739 . . . . 10.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.7 -32.22 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.522 -0.736 . . . . 10.0 110.735 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.62 83.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.327 -0.858 . . . . 10.0 109.747 179.298 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -40.92 95.32 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.505 -0.747 . . . . 10.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.12 -37.12 79.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.519 -0.738 . . . . 10.0 109.398 178.719 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -80.83 -10.15 59.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.633 -0.667 . . . . 10.0 111.083 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -109.57 6.16 23.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.043 -1.036 . . . . 10.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -101.97 -40.53 6.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.054 -1.029 . . . . 10.0 110.207 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 40.2 p-90 -64.05 -26.54 68.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 10.0 111.161 -179.787 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -70.79 -39.11 73.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.114 -0.991 . . . . 10.0 110.075 179.211 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.89 -28.93 62.48 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.564 -0.71 . . . . 10.0 110.527 179.529 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 -33.2 12.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 10.0 110.347 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -28.55 57.52 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.344 -0.847 . . . . 10.0 110.743 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 8.2 mp . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 10.0 110.37 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.8 mm? . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 121.076 0.465 . . . . 10.0 110.208 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -19.33 63.12 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.398 -0.814 . . . . 10.0 110.878 179.702 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.58 -33.7 9.81 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.353 -0.842 . . . . 10.0 110.461 -179.878 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.504 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 5.4 tp -65.77 -24.06 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.187 -0.946 . . . . 10.0 110.384 179.583 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -70.11 -39.67 75.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.985 -1.072 . . . . 10.0 109.364 179.065 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.33 -50.64 66.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.739 -0.601 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.504 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -57.98 -35.16 70.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.422 -0.799 . . . . 10.0 109.957 179.718 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 12' ' ' ILE . 4.5 mm -69.27 -39.99 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.247 -0.908 . . . . 10.0 109.638 179.017 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.64 -32.25 70.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.53 -0.731 . . . . 10.0 109.898 179.28 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.34 -41.2 98.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.635 -0.665 . . . . 10.0 109.825 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.26 -31.12 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.419 -0.8 . . . . 10.0 109.642 179.319 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.68 -38.97 80.77 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.481 -0.762 . . . . 10.0 110.753 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -60.43 -38.91 85.6 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.384 -0.822 . . . . 10.0 110.463 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.53 -37.51 87.59 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.202 -0.936 . . . . 10.0 109.235 178.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -68.36 -23.13 64.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.665 -0.647 . . . . 10.0 110.31 179.073 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -88.16 -24.96 23.19 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.033 -1.042 . . . . 10.0 110.125 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -60.51 -50.15 74.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.517 -0.74 . . . . 10.0 110.714 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.477 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 18.2 p-90 -68.92 -24.83 64.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.152 -0.967 . . . . 10.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -73.1 -38.35 66.39 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.167 -0.958 . . . . 10.0 109.708 178.845 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -68.96 -37.19 78.68 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.545 -0.722 . . . . 10.0 109.809 179.14 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.11 86.38 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 10.0 110.213 179.508 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -80.07 -39.57 29.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.429 -0.794 . . . . 10.0 110.126 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.609 -0.682 . . . . 10.0 110.057 179.648 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.649 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 121.137 0.494 . . . . 10.0 110.889 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -34.38 76.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.113 -0.992 . . . . 10.0 109.755 179.032 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.56 -20.2 61.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.732 . . . . 10.0 109.908 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.649 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -50.09 -35.86 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 10.0 110.475 179.651 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -77.87 -41.71 35.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.167 -0.958 . . . . 10.0 109.457 179.288 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.71 -47.51 75.14 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.688 -0.632 . . . . 10.0 110.127 179.652 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.419 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -54.24 -37.17 64.34 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.584 -0.697 . . . . 10.0 109.871 179.753 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.5 mm -75.56 -34.32 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.318 -0.864 . . . . 10.0 110.023 178.925 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -59.25 -44.58 92.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.573 -0.704 . . . . 10.0 110.639 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -46.34 90.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.4 -0.813 . . . . 10.0 109.666 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.88 -31.05 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.577 -0.702 . . . . 10.0 109.998 179.311 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -37.48 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -0.844 . . . . 10.0 110.112 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -42.43 98.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.459 -0.776 . . . . 10.0 109.826 179.321 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.1 -40.03 92.18 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.547 -0.721 . . . . 10.0 109.184 178.747 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -67.43 -34.73 77.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.622 -0.674 . . . . 10.0 109.958 179.015 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -63.99 -42.89 97.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.378 -0.826 . . . . 10.0 109.391 179.042 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 m -59.17 -42.4 90.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.482 -0.761 . . . . 10.0 109.344 178.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.574 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 32.4 t90 -65.84 -43.6 88.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.607 -0.683 . . . . 10.0 109.443 178.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.574 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.64 -32.62 74.29 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.601 -0.687 . . . . 10.0 110.381 179.553 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -67.49 -31.66 71.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.428 -0.795 . . . . 10.0 110.244 179.599 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.82 78.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.349 -0.844 . . . . 10.0 109.793 179.471 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.02 -23.93 30.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.593 -0.692 . . . . 10.0 109.973 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.361 0.6 . . . . 10.0 110.327 -179.548 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.503 2.208 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 . . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -43.11 81.01 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.238 -0.914 . . . . 10.0 110.61 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.82 -20.11 13.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.356 -0.84 . . . . 10.0 110.97 179.84 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -64.73 -32.73 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.072 -1.017 . . . . 10.0 110.128 179.912 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -75.04 -32.06 61.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.962 -1.086 . . . . 10.0 109.384 178.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.91 -47.18 66.45 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.559 -0.713 . . . . 10.0 109.657 179.053 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.418 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -58.06 -36.36 72.67 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.505 -0.747 . . . . 10.0 109.399 179.365 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 6.2 mm -68.45 -37.94 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.347 -0.846 . . . . 10.0 109.683 178.923 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.34 -33.17 75.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.484 -0.76 . . . . 10.0 110.345 179.541 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.57 -49.06 51.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.421 -0.799 . . . . 10.0 110.28 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.87 -29.28 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.48 -0.762 . . . . 10.0 111.101 -179.851 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -78.22 -38.22 43.56 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.978 -1.076 . . . . 10.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -65.08 -44.33 89.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.252 -0.905 . . . . 10.0 110.252 179.787 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -36.83 80.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.399 -0.813 . . . . 10.0 109.39 179.007 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.06 -37.86 66.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.691 -0.631 . . . . 10.0 109.848 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -60.36 -45.94 91.72 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.595 -0.691 . . . . 10.0 110.024 179.52 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -62.39 -41.55 98.74 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 10.0 109.755 179.222 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -60.43 -41.43 93.97 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.579 -0.7 . . . . 10.0 109.877 179.295 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -61.96 -47.46 84.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.595 -0.691 . . . . 10.0 110.027 179.613 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -46.93 80.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.607 -0.683 . . . . 10.0 109.849 179.531 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.3 72.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.61 -0.681 . . . . 10.0 110.418 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -71.8 -34.93 69.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.397 -0.815 . . . . 10.0 110.329 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 O-C-N 121.551 -0.718 . . . . 10.0 110.155 179.886 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.443 ' HA ' HG23 ' A' ' 8' ' ' ILE . 28.1 mt . . . . . 0 N--CA 1.508 2.457 0 N-CA-C 111.509 0.188 . . . . 10.0 111.509 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -60.6 -22.59 63.91 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.064 -1.022 . . . . 10.0 110.605 179.775 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -107.2 -11.54 15.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.238 -0.914 . . . . 10.0 110.243 178.925 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.443 HG23 ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -99.19 -25.0 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 10.0 110.261 179.63 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -75.37 -20.66 58.84 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.124 -0.985 . . . . 10.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 1.1 t70 -83.68 -43.71 15.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.347 -0.846 . . . . 10.0 109.155 179.261 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.447 ' NE1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.56 -32.67 71.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.683 -0.636 . . . . 10.0 109.539 179.184 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.447 HG12 ' NE1' ' A' ' 11' ' ' TRP . 6.3 mm -75.8 -44.05 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.312 -0.868 . . . . 10.0 109.806 178.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.94 -38.06 84.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.588 -0.695 . . . . 10.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.33 -55.26 33.7 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.377 -0.827 . . . . 10.0 110.177 179.746 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.0 t -65.85 -32.83 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.484 -0.76 . . . . 10.0 110.029 179.54 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -64.61 -41.25 96.33 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.487 -0.758 . . . . 10.0 110.236 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 t -63.05 -42.34 99.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.306 -0.871 . . . . 10.0 109.551 179.362 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -41.93 88.11 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.705 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -70.81 -38.04 73.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.659 -0.651 . . . . 10.0 109.442 178.622 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.59 95.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.668 -0.645 . . . . 10.0 109.888 179.362 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -62.41 -45.51 92.79 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 10.0 109.506 179.146 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.526 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 20.3 t90 -64.42 -43.38 94.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.584 -0.697 . . . . 10.0 109.67 179.177 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.82 -39.31 80.83 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.522 -0.736 . . . . 10.0 110.351 179.805 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -42.29 91.3 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.104 179.663 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.04 82.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.511 -0.743 . . . . 10.0 110.315 179.526 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -74.43 -36.54 63.41 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.442 -0.786 . . . . 10.0 110.524 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.034 0 O-C-N 121.506 -0.747 . . . . 10.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 120.752 0.311 . . . . 10.0 111.313 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -28.6 65.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.138 -0.976 . . . . 10.0 110.321 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -101.73 -19.85 15.2 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.488 -0.758 . . . . 10.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.0 tt -62.07 -27.41 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.063 -1.023 . . . . 10.0 111.222 -179.587 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -34.09 64.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.268 -0.895 . . . . 10.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.32 -36.86 64.21 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.52 -0.737 . . . . 10.0 110.248 179.513 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -61.28 -47.75 84.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.575 -0.703 . . . . 10.0 109.769 179.324 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.43 -32.4 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.259 -0.901 . . . . 10.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 t -62.15 -39.96 94.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.34 -0.85 . . . . 10.0 110.285 179.913 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.24 -51.66 59.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.536 -0.727 . . . . 10.0 110.467 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.16 -28.26 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.296 -0.878 . . . . 10.0 110.443 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.35 -44.57 71.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.201 -0.937 . . . . 10.0 110.13 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 p -64.87 -35.8 82.31 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 10.0 109.51 179.287 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.01 -38.56 91.69 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.589 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -65.18 -35.17 80.24 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.73 -0.606 . . . . 10.0 109.635 178.87 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.2 -48.55 67.54 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.479 -0.763 . . . . 10.0 109.394 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -66.02 -40.01 90.7 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.543 -0.723 . . . . 10.0 109.767 179.099 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.536 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 26.1 t90 -59.38 -41.24 88.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.624 -0.673 . . . . 10.0 109.899 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.536 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.95 -45.2 82.67 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.533 -0.73 . . . . 10.0 110.345 179.782 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -70.29 -36.94 74.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.455 -0.778 . . . . 10.0 110.246 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.492 -0.755 . . . . 10.0 110.257 179.534 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -16.44 24.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.252 -0.905 . . . . 10.0 110.556 179.409 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.059 0 O-C-N 121.489 -0.757 . . . . 10.0 110.167 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 120.905 0.383 . . . . 10.0 110.418 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.88 143.39 25.37 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.726 -1.35 . . . . 10.0 109.726 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -105.5 -59.97 1.69 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.461 -1.023 . . . . 10.0 110.121 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.458 ' CZ2' ' HA ' ' A' ' 6' ' ' ARG . 27.0 p-90 -169.01 -158.54 0.21 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.474 -0.766 . . . . 10.0 110.177 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.72 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 1.1 mp -78.47 56.08 1.71 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.442 -0.786 . . . . 10.0 109.905 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 53.2 ttp180 -56.44 -49.47 74.49 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.237 -0.915 . . . . 10.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -27.52 68.55 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.415 -0.803 . . . . 10.0 110.719 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.72 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -56.37 -31.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.388 -0.82 . . . . 10.0 110.812 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.474 ' CD1' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -68.21 -12.49 61.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.229 -0.919 . . . . 10.0 111.162 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 15.1 t70 -79.01 -34.96 43.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 10.0 108.804 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.96 -30.31 67.81 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.632 -0.668 . . . . 10.0 109.644 178.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.539 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.4 mm -97.44 -39.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.136 -0.978 . . . . 10.0 110.175 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.96 -39.79 72.35 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.323 -0.861 . . . . 10.0 111.2 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -39.21 84.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.271 -0.893 . . . . 10.0 110.744 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.1 t -77.4 -29.37 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.355 -0.841 . . . . 10.0 110.787 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 2.9 39.31 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.214 -0.929 . . . . 10.0 111.406 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -49.91 56.75 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 10.0 110.379 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.448 -0.783 . . . . 10.0 109.457 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -64.81 -34.15 77.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.616 -0.677 . . . . 10.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -70.81 -49.11 49.92 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.383 -0.823 . . . . 10.0 110.067 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -56.22 -42.09 76.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.526 -0.734 . . . . 10.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.548 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 67.1 t90 -62.6 -43.82 97.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.556 -0.715 . . . . 10.0 109.918 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.548 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -70.93 -38.98 72.91 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.443 -0.786 . . . . 10.0 110.459 179.699 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -60.39 -33.35 72.35 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.463 -0.773 . . . . 10.0 110.192 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.11 -39.09 50.78 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 10.0 110.094 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.65 -33.93 69.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 10.0 110.419 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -75.6 -25.54 57.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.43 -0.794 . . . . 10.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.7 ttt -65.88 120.95 73.23 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 121.258 -0.901 . . . . 10.0 110.447 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -75.56 -176.08 2.78 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.902 1.475 . . . . 10.0 110.41 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 131.57 47.9 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.278 -0.889 . . . . 10.0 110.185 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.867 -1.063 . . . . 10.0 110.406 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 120.808 0.337 . . . . 10.0 110.543 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.23 -37.4 3.69 Favored Glycine 0 N--CA 1.496 2.693 0 N-CA-C 109.899 -1.28 . . . . 10.0 109.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -75.55 -81.85 0.07 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.455 -1.026 . . . . 10.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.465 ' CD2' ' HB2' ' A' ' 7' ' ' ASP . 0.3 OUTLIER 56.61 23.56 7.86 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.568 -0.707 . . . . 10.0 111.363 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pp -77.46 -18.85 56.78 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.925 -1.109 . . . . 10.0 110.805 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -82.11 -16.0 51.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 10.0 109.859 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.465 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . 26.6 m-20 -100.03 -30.27 12.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.556 -0.715 . . . . 10.0 110.212 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' TRP . 13.0 tt -61.55 -29.82 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.223 -0.923 . . . . 10.0 110.59 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -62.34 -41.28 98.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.123 -0.986 . . . . 10.0 109.804 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.59 -39.3 76.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.552 -0.718 . . . . 10.0 109.603 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 1.4 t90 -57.61 -54.31 48.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.717 -0.614 . . . . 10.0 109.544 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.72 -35.21 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.181 -0.949 . . . . 10.0 110.141 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.44 -33.25 67.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.48 -0.763 . . . . 10.0 110.169 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.05 -45.88 17.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.72 . . . . 10.0 110.084 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.07 -34.54 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.614 -0.679 . . . . 10.0 110.806 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -9.25 59.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.195 -0.941 . . . . 10.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.5 t -82.95 -60.22 2.23 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.101 -1.0 . . . . 10.0 110.29 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.97 -31.9 67.34 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.304 -0.873 . . . . 10.0 109.539 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -65.82 -39.57 91.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.595 -0.691 . . . . 10.0 109.531 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -62.58 -35.16 78.63 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.744 . . . . 10.0 109.578 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -69.46 -39.89 77.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.593 -0.692 . . . . 10.0 109.648 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.583 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 52.4 t90 -59.81 -47.01 87.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.631 -0.668 . . . . 10.0 110.067 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.583 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -68.74 -43.63 75.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.493 -0.755 . . . . 10.0 110.318 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -41.93 98.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.517 -0.739 . . . . 10.0 109.923 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.93 75.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.436 -0.79 . . . . 10.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -75.83 -21.55 57.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.542 -0.724 . . . . 10.0 110.659 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.37 56.69 3.66 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.539 -0.726 . . . . 10.0 110.249 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 28.2 mtp -97.29 122.06 56.94 Favored Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.313 -0.867 . . . . 10.0 110.19 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -74.86 -171.81 1.07 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.977 1.514 . . . . 10.0 110.648 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.39 113.36 8.34 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.341 -0.849 . . . . 10.0 110.004 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.33 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.127 0.489 . . . . 10.0 110.317 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.87 80.4 1.83 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 109.537 -1.425 . . . . 10.0 109.537 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 m -103.49 -23.18 13.54 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.568 -0.96 . . . . 10.0 111.038 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -96.36 -0.45 49.39 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.222 -0.924 . . . . 10.0 111.5 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.404 ' O ' HG21 ' A' ' 8' ' ' ILE . 2.3 mp -65.55 -27.48 68.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.21 -0.931 . . . . 10.0 110.559 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -25.45 65.48 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.224 -0.923 . . . . 10.0 110.703 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.57 -35.12 10.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.353 -0.842 . . . . 10.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.511 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 2.6 tp -63.77 -27.48 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.194 -0.941 . . . . 10.0 110.935 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.403 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 52.3 m0 -66.66 -41.49 88.12 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.077 -1.014 . . . . 10.0 109.822 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.78 -48.22 77.81 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.643 -0.661 . . . . 10.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.511 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.05 -37.99 81.46 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.539 -0.726 . . . . 10.0 109.814 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.4 mm -66.59 -37.76 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.3 -0.875 . . . . 10.0 109.817 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.62 -31.73 72.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.458 -0.776 . . . . 10.0 109.884 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -71.95 -46.91 55.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.463 -0.773 . . . . 10.0 110.309 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.1 p -73.71 -24.63 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.343 -0.848 . . . . 10.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -83.02 -41.16 19.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.232 -0.917 . . . . 10.0 110.454 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 p -61.06 -48.93 79.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.326 -0.859 . . . . 10.0 110.649 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -37.84 72.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.506 -0.746 . . . . 10.0 109.646 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.32 -37.65 74.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.689 -0.632 . . . . 10.0 110.167 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.437 -0.789 . . . . 10.0 110.13 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -60.27 -42.64 95.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 10.0 109.685 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.571 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.6 t90 -68.97 -41.16 78.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.612 -0.68 . . . . 10.0 109.658 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -67.79 -41.04 83.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.458 -0.776 . . . . 10.0 110.701 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.82 -46.09 90.33 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.398 -0.814 . . . . 10.0 110.199 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.91 73.08 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.609 -0.682 . . . . 10.0 110.376 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -30.83 62.96 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.321 -0.862 . . . . 10.0 110.409 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -50.37 12.95 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.457 -0.777 . . . . 10.0 110.62 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 mtt -92.11 122.72 64.47 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.366 -0.834 . . . . 10.0 110.317 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.5 -18.79 25.61 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 O-C-N 123.942 1.496 . . . . 10.0 111.184 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -118.69 21.65 12.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.418 -0.801 . . . . 10.0 110.631 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.875 -1.06 . . . . 10.0 109.933 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 121.095 0.474 . . . . 10.0 110.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.35 -147.72 8.73 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.697 -1.361 . . . . 10.0 109.697 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.25 -47.64 4.65 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.465 -1.021 . . . . 10.0 110.482 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.467 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 4.2 m95 60.86 -177.71 0.11 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.774 -0.579 . . . . 10.0 110.8 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 1.2 mt 64.09 -72.7 0.06 Allowed 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -60.18 -22.96 63.56 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.227 -0.921 . . . . 10.0 109.228 178.099 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -99.23 -17.07 18.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.759 -0.588 . . . . 10.0 110.382 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 5' ' ' LEU . 8.3 tt -89.27 -26.39 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.14 -0.975 . . . . 10.0 111.041 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -68.14 -41.46 81.61 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.269 -0.895 . . . . 10.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.01 -40.46 70.16 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.574 -0.704 . . . . 10.0 109.945 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.598 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.68 -52.04 67.05 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mm -69.16 -27.74 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.582 -0.699 . . . . 10.0 110.568 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.09 -38.49 91.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.275 -0.891 . . . . 10.0 110.172 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -44.38 62.01 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.374 -0.829 . . . . 10.0 109.697 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.96 -33.66 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.563 -0.711 . . . . 10.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.92 -27.61 62.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.291 -0.88 . . . . 10.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.21 -53.69 52.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.296 -0.877 . . . . 10.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -40.81 78.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.262 -0.899 . . . . 10.0 109.622 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -68.5 -19.75 64.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.566 -0.709 . . . . 10.0 110.517 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 7.79 37.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.204 -0.935 . . . . 10.0 110.227 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.9 -41.65 6.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.908 . . . . 10.0 110.097 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.469 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.1 p-90 -64.76 -26.66 68.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.334 -0.854 . . . . 10.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -65.93 -38.41 88.6 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.244 -0.91 . . . . 10.0 109.783 178.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.16 -32.65 74.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.611 -0.68 . . . . 10.0 109.919 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.25 72.97 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.37 -0.831 . . . . 10.0 109.764 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -29.89 19.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.485 -0.759 . . . . 10.0 109.844 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.74 -61.15 1.95 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.299 -0.876 . . . . 10.0 110.854 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 tpt -95.91 118.75 65.65 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.385 -0.822 . . . . 10.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -74.95 -176.11 2.7 Favored 'Trans proline' 0 C--N 1.314 -1.237 0 O-C-N 123.879 1.463 . . . . 10.0 110.578 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.47 129.98 44.31 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.432 -0.793 . . . . 10.0 110.069 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 118.454 -0.784 . . . . 10.0 110.913 -179.688 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 120.956 0.408 . . . . 10.0 110.33 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.64 -176.65 26.43 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.93 -1.268 . . . . 10.0 109.93 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -111.19 36.38 3.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.47 -1.017 . . . . 10.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.609 ' C ' ' HG ' ' A' ' 5' ' ' LEU . 5.5 m95 -151.44 -170.13 3.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.504 -0.748 . . . . 10.0 110.095 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.609 ' HG ' ' C ' ' A' ' 4' ' ' TRP . 3.6 pp 33.95 38.52 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.538 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -103.25 -50.4 3.48 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.192 -0.943 . . . . 10.0 109.45 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -101.38 -13.22 18.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 10.0 110.633 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 16.3 tt -59.7 -31.48 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.212 -0.93 . . . . 10.0 110.189 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.93 -38.5 37.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.503 -0.748 . . . . 10.0 109.513 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.52 -37.64 88.09 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.657 -0.652 . . . . 10.0 110.007 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.456 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.66 -39.92 90.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.491 -0.755 . . . . 10.0 109.436 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.8 mm -83.95 -28.74 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.236 -0.915 . . . . 10.0 110.29 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.95 -40.87 62.75 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.21 -0.931 . . . . 10.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.42 -51.13 60.21 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.301 -0.874 . . . . 10.0 110.621 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.65 -32.77 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.419 -0.801 . . . . 10.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.87 -46.53 12.91 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.169 -0.957 . . . . 10.0 109.389 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -59.66 -39.67 85.17 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.61 -0.682 . . . . 10.0 109.823 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.92 -41.66 96.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.51 -35.92 68.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.815 -0.553 . . . . 10.0 109.612 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.66 -44.48 77.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.708 . . . . 10.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.0 m -62.5 -42.34 99.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.374 -0.829 . . . . 10.0 109.902 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.411 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 10.7 t90 -70.07 -41.46 74.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.43 -0.794 . . . . 10.0 110.13 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD12 ' CZ3' ' A' ' 22' ' ' TRP . 11.1 tp -71.87 -41.79 67.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.78 . . . . 10.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -28.74 70.08 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.303 -0.873 . . . . 10.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.76 91.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.29 -0.881 . . . . 10.0 110.344 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -94.88 -39.29 10.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 10.0 110.249 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -120.74 98.38 5.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.415 -0.803 . . . . 10.0 110.131 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.619 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 6.0 tpt -85.15 -55.8 0.41 Allowed Pre-proline 0 N--CA 1.498 1.964 0 O-C-N 121.408 -0.807 . . . . 10.0 110.959 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 47.9 Cg_endo -73.47 169.99 20.99 Favored 'Trans proline' 0 N--CA 1.489 1.208 0 O-C-N 123.141 1.074 . . . . 10.0 110.576 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 35.14 57.43 0.79 Allowed 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 121.417 0.627 . . . . 10.0 111.603 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 117.825 -1.084 . . . . 10.0 110.979 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 121.21 0.529 . . . . 10.0 110.425 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.81 -147.45 26.47 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.636 -1.385 . . . . 10.0 109.636 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 p -125.3 -71.79 0.69 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.408 -1.054 . . . . 10.0 110.304 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -158.96 -158.77 0.72 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.334 -0.854 . . . . 10.0 110.364 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mp -53.98 -31.5 51.0 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.535 -0.728 . . . . 10.0 111.006 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -55.58 -35.37 65.71 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.54 -0.725 . . . . 10.0 109.948 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -102.79 -34.96 8.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.782 -0.574 . . . . 10.0 109.916 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.39 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.492 -0.755 . . . . 10.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -67.92 -40.42 83.38 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.265 -0.897 . . . . 10.0 109.671 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -37.01 84.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.697 -0.627 . . . . 10.0 110.137 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -41.91 89.55 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.348 -0.845 . . . . 10.0 109.466 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mm -74.33 -36.41 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.3 -0.875 . . . . 10.0 109.968 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.42 -39.46 71.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.338 -0.851 . . . . 10.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.27 -48.97 47.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 10.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.95 -32.73 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.195 -0.941 . . . . 10.0 110.726 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.58 -42.31 18.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.123 -0.986 . . . . 10.0 109.653 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 t -62.0 -43.71 98.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 10.0 110.001 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.61 -40.12 90.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.271 -0.893 . . . . 10.0 109.602 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -67.87 -37.3 81.64 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.519 -0.738 . . . . 10.0 110.224 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -78.24 -37.57 44.91 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.48 -0.763 . . . . 10.0 110.217 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -60.76 -43.42 98.03 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.747 . . . . 10.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.7 t90 -65.1 -49.83 68.46 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.404 -0.81 . . . . 10.0 110.01 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -61.07 -40.78 94.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.366 -0.834 . . . . 10.0 110.351 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -72.0 -36.23 69.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 10.0 110.02 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.69 76.34 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 10.0 109.947 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -7.76 51.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.414 -0.804 . . . . 10.0 110.796 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 56.51 43.06 26.46 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.4 -0.812 . . . . 10.0 110.546 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 58.04 87.98 0.13 Allowed Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.639 -0.663 . . . . 10.0 110.684 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.09 -176.97 2.66 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 O-C-N 123.793 1.417 . . . . 10.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -57.49 137.37 56.32 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.515 -0.74 . . . . 10.0 110.847 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 117.921 -1.037 . . . . 10.0 110.436 -179.848 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 120.89 0.376 . . . . 10.0 110.312 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.79 -119.28 2.41 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.299 -1.52 . . . . 10.0 109.299 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -168.18 -50.45 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.502 -0.999 . . . . 10.0 110.515 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.427 ' CE3' ' HA ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -77.67 -134.31 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.496 -0.753 . . . . 10.0 109.712 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.51 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 5.3 mp -52.5 -28.76 21.8 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.078 -1.014 . . . . 10.0 110.535 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.18 -25.55 65.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.338 -0.851 . . . . 10.0 110.841 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.97 -29.31 9.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.324 -0.86 . . . . 10.0 110.678 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 9.8 tt -61.45 -36.41 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.161 -0.962 . . . . 10.0 110.442 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -66.18 -37.16 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.312 -0.868 . . . . 10.0 109.233 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.13 -35.57 73.71 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 10.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.03 -49.25 75.36 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.608 -0.682 . . . . 10.0 109.298 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mt -72.29 -36.79 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.368 -0.832 . . . . 10.0 109.786 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 t -57.54 -42.87 83.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.642 -0.661 . . . . 10.0 110.511 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -58.16 -40.64 81.92 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.509 -0.744 . . . . 10.0 110.105 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.52 -23.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 10.0 110.3 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp -70.64 -22.13 62.55 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.268 -0.895 . . . . 10.0 111.152 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -58.26 8.93 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.126 -0.984 . . . . 10.0 110.622 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.441 ' O ' HG21 ' A' ' 21' ' ' THR . 1.1 m-20 -62.29 -31.43 72.03 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.232 -0.918 . . . . 10.0 109.774 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -70.86 -36.28 72.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 109.482 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -33.85 27.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.492 -0.755 . . . . 10.0 110.327 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.441 HG21 ' O ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -61.4 -34.75 75.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.314 -0.866 . . . . 10.0 110.165 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.577 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 47.0 t90 -74.14 -43.68 56.53 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.445 -0.784 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.577 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -68.55 -36.2 78.46 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.511 -0.743 . . . . 10.0 110.227 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -41.91 98.94 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.462 -0.774 . . . . 10.0 109.892 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.21 67.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.567 -0.708 . . . . 10.0 110.306 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -32.85 21.98 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.359 -0.838 . . . . 10.0 110.258 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -73.78 -19.92 60.63 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.526 -0.734 . . . . 10.0 110.754 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.459 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 5.9 mtp -63.14 -59.68 11.64 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.127 -0.983 . . . . 10.0 110.767 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 28' ' ' MET . 48.1 Cg_endo -74.28 147.82 37.9 Favored 'Trans proline' 0 N--CA 1.487 1.125 0 O-C-N 123.36 1.189 . . . . 10.0 110.467 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 51.8 76.04 0.19 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.399 0.619 . . . . 10.0 110.635 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 O-C-N 121.353 -0.842 . . . . 10.0 110.758 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.8 m . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 120.847 0.356 . . . . 10.0 110.533 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.77 -155.81 10.43 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.848 -1.301 . . . . 10.0 109.848 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -84.37 -37.96 20.9 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.558 -0.966 . . . . 10.0 110.464 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.401 ' CZ3' ' HB ' ' A' ' 8' ' ' ILE . 43.0 p-90 -142.35 135.43 28.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.266 -0.896 . . . . 10.0 110.032 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -131.5 13.7 4.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.277 -0.889 . . . . 10.0 111.444 -179.572 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -80.05 -44.11 20.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.004 -1.06 . . . . 10.0 109.687 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.5 -34.13 21.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.57 -0.706 . . . . 10.0 110.707 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 8.1 tt -64.55 -28.56 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.251 -0.906 . . . . 10.0 110.841 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -68.53 -45.42 72.28 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.183 -0.948 . . . . 10.0 109.901 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.64 -39.97 92.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.423 -0.798 . . . . 10.0 109.919 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -55.56 -35.94 66.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.73 179.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.502 HG12 ' CD1' ' A' ' 11' ' ' TRP . 5.6 mm -89.56 -38.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.244 -0.91 . . . . 10.0 110.231 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 t -65.75 -42.97 90.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.407 -0.808 . . . . 10.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.54 -52.97 62.93 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.447 -0.783 . . . . 10.0 110.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.22 -35.02 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.526 -0.734 . . . . 10.0 110.177 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.1 -22.94 51.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 10.0 110.148 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -50.61 59.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.364 -0.835 . . . . 10.0 109.835 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.94 -41.02 86.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.395 -0.816 . . . . 10.0 108.953 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.01 -38.08 81.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.661 -0.649 . . . . 10.0 109.475 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -64.67 -39.42 93.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.524 -0.735 . . . . 10.0 109.595 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -58.93 -44.06 91.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.507 -0.746 . . . . 10.0 109.512 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -70.71 -42.65 70.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.653 -0.654 . . . . 10.0 109.675 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -40.92 98.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.584 -0.698 . . . . 10.0 110.451 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -62.64 -43.15 99.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.417 -0.802 . . . . 10.0 110.342 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.35 -37.51 71.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.461 -0.775 . . . . 10.0 110.438 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.25 -34.92 66.11 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 10.0 110.592 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -21.55 55.38 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.344 -0.847 . . . . 10.0 110.774 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.49 123.25 72.95 Favored Pre-proline 0 N--CA 1.5 2.045 0 O-C-N 121.344 -0.847 . . . . 10.0 110.595 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.18 98.69 1.19 Allowed 'Trans proline' 0 C--N 1.315 -1.188 0 O-C-N 123.807 1.425 . . . . 10.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 51.78 74.35 0.26 Allowed 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 121.432 0.634 . . . . 10.0 110.74 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.278 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 120.767 0.318 . . . . 10.0 110.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.33 95.23 2.36 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.569 -1.412 . . . . 10.0 109.569 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -99.78 30.11 3.82 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.592 -0.946 . . . . 10.0 110.794 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.71 -24.27 14.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.278 -0.889 . . . . 10.0 110.621 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -86.82 -25.42 24.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.491 -0.756 . . . . 10.0 110.536 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.15 -49.72 76.77 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.942 . . . . 10.0 110.036 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -33.56 74.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.776 . . . . 10.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.471 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 1.4 tt -79.52 -8.82 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.119 -0.988 . . . . 10.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -43.98 8.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.984 -1.072 . . . . 10.0 109.78 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.3 -40.34 95.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.415 -0.803 . . . . 10.0 109.82 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.44 -33.4 72.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.546 -0.721 . . . . 10.0 109.683 179.432 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 HG12 ' NE1' ' A' ' 11' ' ' TRP . 4.6 mm -78.37 -30.79 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.34 -0.85 . . . . 10.0 110.263 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.71 -43.64 65.58 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.294 -0.879 . . . . 10.0 110.669 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -41.87 92.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 10.0 110.153 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -78.5 -24.98 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.861 . . . . 10.0 110.168 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -43.9 97.96 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.235 -0.915 . . . . 10.0 110.289 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.6 p -63.93 -40.53 96.66 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.291 -0.881 . . . . 10.0 109.383 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.15 -39.28 89.5 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -69.11 -37.73 78.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.75 -0.594 . . . . 10.0 109.988 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -61.21 -44.34 97.44 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.364 -0.835 . . . . 10.0 109.884 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.1 m -61.65 -36.94 82.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.532 -0.73 . . . . 10.0 109.686 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.537 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.9 t90 -68.78 -39.45 80.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.625 -0.672 . . . . 10.0 109.733 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.537 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.2 -28.7 69.92 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.58 -0.7 . . . . 10.0 110.237 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -84.02 -41.36 17.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.447 -0.783 . . . . 10.0 109.72 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.64 82.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.582 -0.699 . . . . 10.0 109.849 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -17.93 34.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.47 -0.769 . . . . 10.0 110.285 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.1 96.65 0.06 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.735 -0.603 . . . . 10.0 110.308 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.26 147.56 0.12 Allowed Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 121.973 -0.454 . . . . 10.0 110.808 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD3' HD21 ' A' ' 23' ' ' LEU . 49.1 Cg_endo -77.94 177.61 8.59 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.769 1.405 . . . . 10.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.63 80.63 1.1 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.471 -0.768 . . . . 10.0 110.243 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.937 -1.03 . . . . 10.0 110.363 -179.712 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.077 0.465 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.02 -171.81 12.98 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.635 -1.386 . . . . 10.0 109.635 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -115.43 53.07 0.85 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.47 -1.017 . . . . 10.0 110.259 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -141.56 -176.39 4.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.442 -0.786 . . . . 10.0 110.331 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp 66.29 -62.26 0.27 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 122.05 -0.406 . . . . 10.0 111.186 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -38.48 64.79 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.091 -1.006 . . . . 10.0 110.221 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.6 -19.2 58.1 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 10.0 110.626 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt -93.84 -28.45 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.242 -0.911 . . . . 10.0 109.652 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -64.43 -46.75 81.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.557 -0.715 . . . . 10.0 110.486 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.32 -39.14 92.07 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.33 -0.856 . . . . 10.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.524 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.39 -29.69 66.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.766 . . . . 10.0 110.199 179.579 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.524 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.1 mm -99.06 -34.39 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.135 -0.978 . . . . 10.0 110.55 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 t -77.6 -40.38 42.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.324 -0.86 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.74 -35.0 79.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.18 -0.95 . . . . 10.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.26 -28.72 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.316 -0.865 . . . . 10.0 110.357 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.47 -32.16 24.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.275 -0.891 . . . . 10.0 111.043 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -56.83 -47.2 80.87 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.223 -0.923 . . . . 10.0 110.478 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.4 -36.31 79.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.292 -0.88 . . . . 10.0 109.136 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -20.22 63.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.723 -0.611 . . . . 10.0 110.496 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -8.54 49.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.226 -0.921 . . . . 10.0 110.268 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 m -80.24 -50.57 10.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.353 -0.842 . . . . 10.0 110.024 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.512 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 26.4 p-90 -68.4 -25.04 64.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.317 -0.864 . . . . 10.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -76.09 -38.98 56.34 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.264 -0.898 . . . . 10.0 109.884 179.097 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -65.45 -41.51 93.34 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.515 -0.741 . . . . 10.0 109.761 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.26 90.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.652 -0.655 . . . . 10.0 110.298 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -70.65 -30.59 67.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.775 . . . . 10.0 110.447 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 27' ' ' LEU . 1.1 mm? -70.73 -59.09 3.01 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.418 -0.801 . . . . 10.0 110.14 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ttm 53.56 84.62 0.21 Allowed Pre-proline 0 N--CA 1.502 2.172 0 O-C-N 121.891 -0.506 . . . . 10.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.456 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 45.3 Cg_endo -72.51 95.4 0.79 Allowed 'Trans proline' 0 C--N 1.313 -1.326 0 O-C-N 123.704 1.371 . . . . 10.0 110.238 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 29' ' ' PRO . 1.5 pt20 33.14 57.6 0.47 Allowed 'General case' 0 N--CA 1.508 2.463 0 CA-C-O 121.41 0.624 . . . . 10.0 111.737 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 117.866 -1.064 . . . . 10.0 110.655 179.883 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.078 0.466 . . . . 10.0 110.41 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.38 -89.49 0.07 OUTLIER Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.888 -1.285 . . . . 10.0 109.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -131.4 -56.66 1.02 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.569 -0.959 . . . . 10.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.46 -142.62 0.06 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.296 -0.878 . . . . 10.0 110.51 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.477 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.8 tp -63.68 -14.76 55.06 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.063 -1.023 . . . . 10.0 111.601 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.45 96.57 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.054 -1.029 . . . . 10.0 110.54 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.11 -3.31 29.46 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.25 -0.906 . . . . 10.0 111.297 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 9.4 tt -71.6 -20.42 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 120.969 -1.082 . . . . 10.0 110.689 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -33.59 75.93 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.265 -0.897 . . . . 10.0 109.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.45 -37.68 62.85 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.623 -0.673 . . . . 10.0 110.065 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.19 -45.51 87.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.637 -0.665 . . . . 10.0 109.248 178.825 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.16 -26.26 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.402 -0.811 . . . . 10.0 109.987 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -56.75 -43.99 81.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.415 -0.803 . . . . 10.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.81 -39.44 80.07 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.642 -0.661 . . . . 10.0 109.988 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.65 -30.06 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.414 -0.804 . . . . 10.0 110.053 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -43.12 51.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.418 -0.801 . . . . 10.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 p -58.26 -44.02 88.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.351 -0.843 . . . . 10.0 110.406 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.1 -31.97 73.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.391 -0.818 . . . . 10.0 109.594 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -83.12 -7.41 59.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.633 -0.667 . . . . 10.0 110.851 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -113.77 11.48 18.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.029 -1.044 . . . . 10.0 111.311 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -116.26 -55.66 2.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.092 -1.005 . . . . 10.0 109.211 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.541 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 56.1 t90 -73.42 -39.13 65.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.586 -0.696 . . . . 10.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -74.46 -37.5 63.21 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.587 -0.695 . . . . 10.0 110.693 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -66.41 -38.1 86.7 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.391 -0.818 . . . . 10.0 110.564 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.26 92.96 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.821 . . . . 10.0 110.399 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -91.38 -14.53 30.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 10.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.13 67.68 0.89 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.444 -0.785 . . . . 10.0 109.916 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 70.8 mtp 55.64 74.41 0.72 Allowed Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.673 -0.642 . . . . 10.0 110.741 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.71 70.71 4.99 Favored 'Trans proline' 0 N--CA 1.488 1.176 0 O-C-N 123.87 1.458 . . . . 10.0 110.649 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.36 158.33 0.1 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.402 0.62 . . . . 10.0 110.627 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.83 0 O-C-N 121.216 -0.928 . . . . 10.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.039 0.447 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.17 76.38 1.32 Allowed Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.427 -1.469 . . . . 10.0 109.427 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -132.9 -55.89 0.93 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.539 -0.977 . . . . 10.0 110.423 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' SER . 1.9 p-90 30.56 63.37 0.18 Allowed 'General case' 0 N--CA 1.51 2.573 0 CA-C-O 121.646 0.736 . . . . 10.0 111.554 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.479 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.3 pp -63.17 -24.58 67.95 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.583 -0.698 . . . . 10.0 111.279 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -64.57 -23.59 67.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.146 -0.971 . . . . 10.0 110.796 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -107.19 -32.81 7.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.288 -0.882 . . . . 10.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.479 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 12.1 tt -60.5 -34.27 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.123 -0.985 . . . . 10.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -69.77 -38.5 76.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.196 -0.94 . . . . 10.0 109.25 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.86 -39.97 96.04 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.681 -0.637 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -40.92 96.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.418 -0.802 . . . . 10.0 109.798 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mm -67.85 -27.83 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.272 -0.892 . . . . 10.0 110.237 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.39 -37.16 52.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.207 -0.933 . . . . 10.0 109.824 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.81 -50.46 66.61 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.572 -0.705 . . . . 10.0 110.117 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.94 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.543 -0.723 . . . . 10.0 110.405 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tp -69.64 -43.74 72.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.243 -0.911 . . . . 10.0 110.002 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -64.63 -37.47 87.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.761 . . . . 10.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -40.55 94.23 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.02 -38.31 88.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.691 -0.63 . . . . 10.0 110.082 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -74.28 -41.62 60.91 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.416 -0.802 . . . . 10.0 110.06 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -65.69 -39.52 91.35 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.527 -0.733 . . . . 10.0 109.833 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -63.41 -45.03 92.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.422 -0.799 . . . . 10.0 109.991 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.35 -40.73 98.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.461 -0.774 . . . . 10.0 110.247 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -73.72 -31.27 63.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.348 -0.845 . . . . 10.0 110.152 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.04 65.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.521 -0.737 . . . . 10.0 109.558 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 -25.18 35.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.606 -0.684 . . . . 10.0 109.793 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.0 99.93 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.451 0.644 . . . . 10.0 111.052 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 tpt -119.2 75.49 15.55 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.36 -0.837 . . . . 10.0 110.105 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.06 169.65 21.94 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.731 1.385 . . . . 10.0 110.569 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.66 128.64 38.07 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.463 -0.773 . . . . 10.0 110.373 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.272 -0.871 . . . . 10.0 110.5 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.041 0.448 . . . . 10.0 110.343 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.76 142.43 24.55 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.475 -1.45 . . . . 10.0 109.475 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.79 25.65 11.51 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.494 -1.004 . . . . 10.0 110.75 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 -159.19 131.1 6.44 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.154 -0.966 . . . . 10.0 110.421 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.65 14.26 5.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.394 -0.816 . . . . 10.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.37 7.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.143 -0.973 . . . . 10.0 109.31 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.19 -26.93 62.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 10.0 110.356 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.1 tt -62.03 -33.7 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.269 -0.894 . . . . 10.0 109.818 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -67.63 -38.52 84.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.275 -0.891 . . . . 10.0 108.984 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.81 -0.556 . . . . 10.0 110.136 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -37.33 84.43 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.441 -0.787 . . . . 10.0 109.79 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mm -76.66 -40.59 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.291 -0.881 . . . . 10.0 109.841 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.63 -38.9 89.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.582 -0.699 . . . . 10.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -51.82 65.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.101 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.44 -34.44 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.414 -0.804 . . . . 10.0 109.867 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -43.85 95.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.436 -0.79 . . . . 10.0 109.443 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -62.31 -41.48 98.56 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.433 -0.792 . . . . 10.0 109.052 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.13 -23.58 66.64 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.547 -0.721 . . . . 10.0 110.276 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -97.03 -18.98 19.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.465 -0.772 . . . . 10.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -108.65 7.77 26.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.026 -1.046 . . . . 10.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -102.73 -38.51 7.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 10.0 110.269 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.447 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 41.0 p-90 -65.23 -26.08 67.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.258 -0.901 . . . . 10.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -70.44 -51.32 30.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.102 -0.999 . . . . 10.0 109.952 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -56.81 -24.61 52.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.458 -0.776 . . . . 10.0 110.903 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.17 -36.16 12.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.206 -0.934 . . . . 10.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -98.08 20.32 12.54 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.268 -0.895 . . . . 10.0 111.272 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.42 -61.97 1.36 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.143 -0.973 . . . . 10.0 110.045 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 38.8 tpp -162.46 64.61 1.61 Allowed Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.414 -0.804 . . . . 10.0 110.537 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.15 177.5 7.12 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.684 1.36 . . . . 10.0 110.342 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -89.56 87.72 7.15 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.289 -0.882 . . . . 10.0 109.799 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 118.225 -0.893 . . . . 10.0 110.451 -179.61 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 121.053 0.454 . . . . 10.0 110.452 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.61 120.21 0.93 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.637 -1.385 . . . . 10.0 109.637 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 5' ' ' LEU . 4.1 p -115.97 -81.78 0.61 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.484 -1.01 . . . . 10.0 110.184 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.408 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER 64.37 -68.59 0.1 Allowed 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.839 -0.538 . . . . 10.0 111.334 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 3' ' ' SER . 4.6 mt -50.3 -36.73 33.05 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.633 -0.667 . . . . 10.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 3.8 mpt_? -57.61 -39.59 77.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.359 -0.838 . . . . 10.0 109.864 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.92 -22.43 62.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.663 -0.648 . . . . 10.0 110.572 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 4' ' ' TRP . 3.6 mt -86.11 -30.68 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.256 -0.903 . . . . 10.0 109.608 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 53.6 m0 -60.68 -39.03 86.91 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.354 -0.841 . . . . 10.0 110.334 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.21 -47.86 72.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.496 -0.752 . . . . 10.0 110.24 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -34.84 64.99 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.508 -0.745 . . . . 10.0 109.981 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mm -73.31 -40.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 10.0 109.962 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.58 -37.37 86.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.473 -0.767 . . . . 10.0 110.35 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.79 -50.93 71.48 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.508 -0.745 . . . . 10.0 109.812 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.38 -31.92 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.508 -0.745 . . . . 10.0 109.464 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -41.64 83.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.494 -0.754 . . . . 10.0 109.35 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 m -63.86 -41.13 97.86 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.575 -0.703 . . . . 10.0 109.415 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.28 -40.52 90.7 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.63 -38.09 89.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.698 -0.626 . . . . 10.0 109.895 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -62.19 -42.0 98.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.32 -0.863 . . . . 10.0 109.815 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -67.14 -36.53 82.06 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.522 -0.736 . . . . 10.0 109.82 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.501 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 5.9 t90 -67.2 -37.15 83.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.467 -0.771 . . . . 10.0 109.645 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -57.24 -33.34 67.47 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.597 -0.69 . . . . 10.0 110.179 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.94 -31.84 21.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.35 -0.844 . . . . 10.0 109.641 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.97 65.66 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 10.0 109.356 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -28.19 35.21 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.674 -0.641 . . . . 10.0 109.526 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.14 109.01 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.53 0.681 . . . . 10.0 111.011 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.69 95.61 24.27 Favored Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.409 -0.807 . . . . 10.0 110.079 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -77.06 54.34 4.57 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 O-C-N 123.877 1.462 . . . . 10.0 111.011 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.16 36.92 0.29 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.192 -0.943 . . . . 10.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.9 -1.048 . . . . 10.0 110.376 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 121.06 0.457 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.13 133.75 31.24 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.386 -1.485 . . . . 10.0 109.386 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.31 35.28 22.46 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.781 -0.835 . . . . 10.0 110.717 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -128.29 -166.35 1.61 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.195 -0.94 . . . . 10.0 110.368 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.476 ' HB3' ' CE3' ' A' ' 9' ' ' TRP . 1.6 mm? 57.84 31.0 19.91 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.788 -0.57 . . . . 10.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -81.0 -55.76 4.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.179 -0.951 . . . . 10.0 109.611 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -103.02 18.06 22.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.451 -0.781 . . . . 10.0 110.004 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.509 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 2.4 mt -107.26 -38.22 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.274 -0.892 . . . . 10.0 109.81 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.476 ' CE3' ' HB3' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -58.95 -41.4 87.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.487 -0.758 . . . . 10.0 110.199 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -47.61 77.59 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.561 -0.712 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.509 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -61.8 -33.74 74.67 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.561 -0.712 . . . . 10.0 109.722 179.638 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.415 HG12 ' NE1' ' A' ' 11' ' ' TRP . 5.3 mm -79.88 -34.64 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.286 -0.884 . . . . 10.0 109.77 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.3 t -59.59 -45.46 91.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.563 -0.711 . . . . 10.0 110.535 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.83 -48.01 80.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 10.0 109.809 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 70.2 t -62.75 -36.95 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.609 -0.682 . . . . 10.0 109.818 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -37.34 86.93 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.561 -0.712 . . . . 10.0 109.976 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -43.62 97.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.519 -0.738 . . . . 10.0 109.518 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.45 -39.6 91.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.627 -0.671 . . . . 10.0 109.245 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.79 -33.89 77.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.67 -0.644 . . . . 10.0 110.134 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -66.25 -46.81 75.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.36 -0.837 . . . . 10.0 109.64 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -63.47 -40.58 97.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 10.0 109.79 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.545 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 24.5 t90 -62.76 -43.36 99.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.664 -0.648 . . . . 10.0 109.925 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.545 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -60.52 -40.99 93.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.52 -0.738 . . . . 10.0 110.226 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -40.32 96.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 10.0 109.905 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.61 83.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 10.0 110.174 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -60.61 -34.44 74.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.553 -0.717 . . . . 10.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tt -81.87 -46.2 14.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.629 -0.67 . . . . 10.0 110.175 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -147.13 98.51 4.03 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 121.502 -0.749 . . . . 10.0 110.286 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -74.82 -173.08 1.41 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.829 1.436 . . . . 10.0 110.729 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -61.46 128.46 36.44 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.326 -0.859 . . . . 10.0 110.279 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.21 -0.9 . . . . 10.0 110.471 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 121.151 0.501 . . . . 10.0 110.377 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.24 78.47 1.41 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.492 -1.443 . . . . 10.0 109.492 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 p -121.7 -70.87 0.76 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.502 -0.999 . . . . 10.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.461 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -156.59 -143.1 0.11 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.373 -0.829 . . . . 10.0 109.781 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.0 mp -56.18 -28.56 58.61 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.23 -0.919 . . . . 10.0 110.392 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -34.84 72.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.459 -0.776 . . . . 10.0 110.279 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -30.01 11.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.563 -0.711 . . . . 10.0 110.425 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.98 -30.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.375 -0.828 . . . . 10.0 110.309 179.758 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -65.78 -37.85 87.43 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.202 -0.936 . . . . 10.0 109.404 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.65 -44.52 96.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.48 -0.763 . . . . 10.0 109.926 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -36.53 84.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.475 -0.765 . . . . 10.0 109.681 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.9 mm -75.98 -40.17 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.234 -0.916 . . . . 10.0 109.853 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 t -62.34 -32.55 73.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.43 -0.794 . . . . 10.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -50.95 70.38 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.303 -0.873 . . . . 10.0 109.911 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.47 -24.06 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.476 -0.765 . . . . 10.0 110.392 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.4 -24.9 34.18 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.205 -0.934 . . . . 10.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -56.12 17.43 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.169 -0.957 . . . . 10.0 110.608 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 21' ' ' THR . 3.9 p30 -61.39 -27.88 68.85 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.221 -0.925 . . . . 10.0 109.794 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -77.91 -38.11 46.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.413 -0.805 . . . . 10.0 109.619 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -77.88 -37.89 47.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 10.0 110.363 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 18' ' ' ASP . 1.5 t -60.69 -34.98 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.315 -0.866 . . . . 10.0 110.064 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -74.63 -44.02 52.55 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.79 . . . . 10.0 109.119 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.537 -0.727 . . . . 10.0 110.057 179.686 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -65.13 -28.96 69.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.529 -0.732 . . . . 10.0 110.415 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.01 79.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.261 -0.899 . . . . 10.0 109.741 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -11.91 41.39 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.51 -0.744 . . . . 10.0 110.661 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.75 52.6 6.55 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.502 -0.749 . . . . 10.0 110.221 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttm -107.7 136.61 19.65 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.326 -0.859 . . . . 10.0 110.315 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -75.07 -173.1 1.46 Allowed 'Trans proline' 0 C--N 1.314 -1.284 0 O-C-N 123.877 1.461 . . . . 10.0 110.405 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -84.68 88.77 7.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.311 -0.868 . . . . 10.0 110.03 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.16 -0.924 . . . . 10.0 110.266 -179.825 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.154 0.502 . . . . 10.0 110.419 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.03 -178.04 50.96 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.648 -1.381 . . . . 10.0 109.648 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.51 38.67 28.11 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.721 -0.87 . . . . 10.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -126.99 16.95 7.3 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.217 -0.927 . . . . 10.0 110.903 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.482 ' HA ' HG23 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -94.66 -7.29 41.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.002 -1.061 . . . . 10.0 110.607 179.324 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -65.9 -14.07 60.84 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.22 -0.925 . . . . 10.0 110.915 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.36 -42.6 3.3 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.192 -0.943 . . . . 10.0 109.876 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.482 HG23 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tt -64.04 -26.42 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.658 -0.651 . . . . 10.0 110.999 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -71.02 -23.79 62.23 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.181 -0.949 . . . . 10.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.422 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -78.35 -35.73 47.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.865 . . . . 10.0 109.404 179.248 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -64.2 -32.57 74.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.692 . . . . 10.0 109.43 178.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.2 mm -89.18 -31.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.189 -0.945 . . . . 10.0 110.272 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.82 -43.04 38.06 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.159 -0.963 . . . . 10.0 110.411 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.3 -45.79 91.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.33 -0.856 . . . . 10.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.05 -31.54 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.393 -0.817 . . . . 10.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 -23.0 30.48 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.298 -0.876 . . . . 10.0 110.172 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -62.31 -53.41 55.43 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.191 -0.943 . . . . 10.0 110.055 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -34.51 73.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.419 -0.801 . . . . 10.0 109.278 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.44 -36.46 60.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.694 -0.629 . . . . 10.0 110.453 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -70.82 -42.91 69.63 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.445 -0.785 . . . . 10.0 110.324 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.1 m -57.09 -42.71 81.26 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.739 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -70.6 -44.82 66.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.56 -0.713 . . . . 10.0 109.523 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 -37.92 86.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.445 -0.784 . . . . 10.0 110.247 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -77.09 -38.33 52.61 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.438 -0.789 . . . . 10.0 109.974 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.45 87.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.473 -0.767 . . . . 10.0 109.625 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.0 tmtm? -84.43 -22.86 30.22 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.636 -0.665 . . . . 10.0 110.084 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 64.84 115.32 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 CA-C-O 121.579 0.704 . . . . 10.0 111.065 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 ttp -99.08 114.41 65.5 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.465 -0.772 . . . . 10.0 110.249 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.93 176.93 8.81 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 O-C-N 123.887 1.467 . . . . 10.0 110.709 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.05 91.5 7.2 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.353 -0.842 . . . . 10.0 109.879 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 117.968 -1.015 . . . . 10.0 110.428 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.194 0.521 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.7 102.23 2.84 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.567 -1.413 . . . . 10.0 109.567 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 52.3 36.69 20.29 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.708 -0.878 . . . . 10.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.536 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 6.1 m95 -134.34 -165.94 1.73 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.388 -0.82 . . . . 10.0 110.186 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 9.0 mt 65.95 -66.8 0.15 Allowed 'General case' 0 N--CA 1.508 2.429 0 O-C-N 122.114 -0.366 . . . . 10.0 110.633 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.32 -30.93 52.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.415 -0.803 . . . . 10.0 109.995 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.7 -19.71 18.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.558 -0.713 . . . . 10.0 111.11 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 tp -61.32 -29.94 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.082 -1.011 . . . . 10.0 110.582 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -74.89 -37.24 62.17 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.246 -0.908 . . . . 10.0 109.293 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.663 -0.648 . . . . 10.0 109.735 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.412 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.44 -38.12 86.03 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.525 -0.734 . . . . 10.0 110.116 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.412 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.0 mm -81.09 -39.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.152 -0.967 . . . . 10.0 110.198 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.77 -39.41 91.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 10.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -63.9 -46.75 83.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.277 -0.89 . . . . 10.0 110.165 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.05 -36.94 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.502 -0.749 . . . . 10.0 109.995 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -44.8 79.89 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.426 -0.796 . . . . 10.0 110.378 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -40.31 96.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.381 -0.824 . . . . 10.0 109.763 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.02 -40.92 86.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.606 -0.684 . . . . 10.0 109.224 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.65 -37.86 87.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.674 -0.641 . . . . 10.0 109.877 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -71.93 -42.04 67.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.454 -0.779 . . . . 10.0 109.73 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 m -62.1 -41.34 98.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.61 -0.681 . . . . 10.0 109.617 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.7 t90 -63.25 -42.94 99.23 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.624 -0.672 . . . . 10.0 109.99 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.68 -38.67 91.99 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.304 -0.873 . . . . 10.0 110.538 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -72.96 -42.38 63.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.408 -0.807 . . . . 10.0 110.356 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.73 63.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.493 -0.754 . . . . 10.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -29.69 63.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.897 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.35 -82.0 0.12 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.187 -0.946 . . . . 10.0 110.299 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 ttt -171.86 113.25 0.4 Allowed Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.109 -0.994 . . . . 10.0 110.466 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.88 170.34 20.61 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.889 1.468 . . . . 10.0 110.415 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -55.11 135.16 49.46 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.422 -0.799 . . . . 10.0 110.653 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.467 -179.725 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 120.824 0.345 . . . . 10.0 110.391 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.92 -168.53 24.25 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.713 -1.355 . . . . 10.0 109.713 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -117.59 54.12 0.91 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.518 -0.989 . . . . 10.0 110.101 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -142.45 0.14 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.353 -0.842 . . . . 10.0 109.918 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 9' ' ' TRP . 0.7 OUTLIER -51.32 -33.57 29.75 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.238 -0.913 . . . . 10.0 110.383 179.813 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -34.09 59.25 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.511 -0.743 . . . . 10.0 110.295 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.59 -36.02 11.41 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.67 -0.644 . . . . 10.0 109.669 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.2 -30.73 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.579 -0.701 . . . . 10.0 110.68 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 41.5 m0 -68.14 -43.44 78.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.198 -0.939 . . . . 10.0 109.961 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.89 -39.84 94.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.56 -0.712 . . . . 10.0 110.204 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.512 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.42 -34.58 69.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.39 -0.819 . . . . 10.0 109.843 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.512 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.9 mm -91.57 -33.41 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.181 -0.95 . . . . 10.0 110.345 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.43 -46.25 64.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 10.0 110.268 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -37.13 75.26 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.389 -0.819 . . . . 10.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 p -86.27 -12.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.848 . . . . 10.0 111.639 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 20' ' ' LYS . 2.3 tt -108.55 -30.05 8.45 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.879 -1.138 . . . . 10.0 111.236 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -60.35 -46.13 91.02 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.109 -0.994 . . . . 10.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.75 -30.79 69.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.329 -0.857 . . . . 10.0 109.869 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.66 -40.48 16.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.57 -0.707 . . . . 10.0 110.452 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB2' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.44 -44.07 62.92 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.482 -0.761 . . . . 10.0 110.659 -179.668 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 m -59.36 -43.62 92.82 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.467 -0.771 . . . . 10.0 110.049 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -66.62 -43.55 84.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.407 -0.808 . . . . 10.0 109.808 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -39.71 79.42 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 10.0 110.045 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -69.39 -33.26 72.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 10.0 110.259 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.02 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.494 -0.754 . . . . 10.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -27.41 21.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 10.0 110.53 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 tp -81.31 -51.83 7.95 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.315 -0.866 . . . . 10.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.1 120.25 67.05 Favored Pre-proline 0 N--CA 1.496 1.826 0 O-C-N 121.36 -0.837 . . . . 10.0 110.319 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -75.41 170.14 20.92 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 O-C-N 124.002 1.527 . . . . 10.0 110.58 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.22 116.87 4.17 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.44 -0.787 . . . . 10.0 110.386 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 118.24 -0.886 . . . . 10.0 110.475 -179.547 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 121.017 0.437 . . . . 10.0 110.476 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.43 -136.2 2.87 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.782 -1.327 . . . . 10.0 109.782 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -147.7 -50.57 0.18 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.515 -0.991 . . . . 10.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -145.41 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.748 . . . . 10.0 110.122 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.605 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -54.97 -26.7 38.4 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.132 -0.98 . . . . 10.0 111.164 -179.788 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -60.48 -25.8 66.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 10.0 110.818 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -119.17 -29.99 5.08 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.301 -0.874 . . . . 10.0 110.908 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.605 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 5.7 tt -65.75 -24.85 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.163 -0.961 . . . . 10.0 111.126 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -32.69 72.78 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.084 -1.01 . . . . 10.0 109.718 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.08 -37.44 82.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.431 -0.793 . . . . 10.0 109.702 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.553 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -54.96 -45.83 74.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.447 -0.783 . . . . 10.0 109.226 178.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mp -84.75 -39.6 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.264 -0.897 . . . . 10.0 110.584 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 t -66.7 -44.29 82.1 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.399 -0.813 . . . . 10.0 111.114 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.63 -44.24 97.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.395 -0.815 . . . . 10.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.94 -37.44 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.507 -0.746 . . . . 10.0 110.143 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -38.28 89.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.493 -0.754 . . . . 10.0 110.283 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.53 88.22 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.434 -0.791 . . . . 10.0 110.164 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.88 -36.2 83.13 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.433 -0.792 . . . . 10.0 109.699 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.61 -14.83 59.54 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.523 -0.736 . . . . 10.0 110.706 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -30.52 10.81 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.089 -1.007 . . . . 10.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 t -61.26 -38.59 87.26 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.46 -0.775 . . . . 10.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -76.94 -28.91 55.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 10.0 109.965 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -45.01 89.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.482 -0.761 . . . . 10.0 109.555 179.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -73.07 -36.16 66.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.562 -0.711 . . . . 10.0 109.737 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.18 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.465 -0.772 . . . . 10.0 109.674 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -86.22 -23.52 26.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.492 -0.755 . . . . 10.0 110.017 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 57.19 72.5 0.51 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.555 -0.716 . . . . 10.0 110.583 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -105.47 116.59 59.94 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 121.436 -0.79 . . . . 10.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -76.13 178.31 7.65 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.955 1.502 . . . . 10.0 110.753 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -73.93 112.5 10.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.334 -0.854 . . . . 10.0 109.902 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 117.92 -1.038 . . . . 10.0 110.443 -179.823 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.101 0.477 . . . . 10.0 110.324 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.31 145.71 17.35 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.72 -1.352 . . . . 10.0 109.72 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 p -130.66 -71.98 0.57 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.482 -1.011 . . . . 10.0 110.2 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 t90 56.54 26.15 10.67 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.623 -0.673 . . . . 10.0 111.719 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.16 -14.16 56.09 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.966 -1.084 . . . . 10.0 110.631 179.341 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -6.2 56.29 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.227 -0.921 . . . . 10.0 110.4 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -115.48 -37.96 3.88 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.391 -0.818 . . . . 10.0 109.737 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.9 tt -66.19 -22.45 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.443 -0.785 . . . . 10.0 110.997 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -63.01 -23.33 67.4 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.313 -0.867 . . . . 10.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.58 -36.71 83.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.243 -0.911 . . . . 10.0 109.456 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.9 -48.15 82.46 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.919 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.74 -27.31 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.876 . . . . 10.0 110.157 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.1 t -58.23 -45.44 87.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.36 -0.838 . . . . 10.0 110.26 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.76 -45.81 67.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 10.0 109.913 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 50.2 t -62.51 -34.87 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.566 -0.709 . . . . 10.0 110.103 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -32.97 73.98 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.43 -0.794 . . . . 10.0 110.178 179.574 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.498 -0.751 . . . . 10.0 109.731 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.74 -28.32 69.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.523 -0.736 . . . . 10.0 109.809 178.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -87.43 -24.19 24.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.428 -0.795 . . . . 10.0 110.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -93.77 -18.76 21.72 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.336 -0.852 . . . . 10.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.5 t -55.66 -35.32 65.84 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.239 -0.913 . . . . 10.0 110.084 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.407 ' HE3' HD22 ' A' ' 23' ' ' LEU . 82.4 t90 -70.37 -38.49 74.76 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.448 -0.782 . . . . 10.0 109.563 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.407 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.16 -39.44 78.87 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.525 -0.734 . . . . 10.0 109.597 179.435 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -64.77 -38.86 92.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.498 -0.751 . . . . 10.0 109.544 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -43.57 69.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 10.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.16 65.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 10.0 110.481 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.5 -33.69 73.21 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.447 -0.783 . . . . 10.0 110.487 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.92 116.26 66.21 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.346 -0.846 . . . . 10.0 110.221 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -74.49 -174.51 1.86 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.871 1.458 . . . . 10.0 110.742 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 126.58 27.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.451 -0.781 . . . . 10.0 110.112 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 118.239 -0.886 . . . . 10.0 110.312 -179.752 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 120.912 0.387 . . . . 10.0 110.306 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.24 -70.94 0.04 OUTLIER Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.33 -1.508 . . . . 10.0 109.33 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' A' ' 7' ' ' ASP . 38.6 m 51.35 60.19 4.05 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.845 -0.797 . . . . 10.0 110.768 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.403 ' CE3' ' HA ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -90.24 -139.85 0.15 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.341 -0.85 . . . . 10.0 109.804 179.849 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.55 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 4.1 mp -54.22 -27.27 33.37 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.062 -1.024 . . . . 10.0 110.983 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -66.44 -36.47 82.87 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.378 -0.826 . . . . 10.0 110.339 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.494 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 2.6 t0 -97.94 -21.44 16.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.823 . . . . 10.0 110.778 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.55 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -77.79 6.41 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.037 -1.039 . . . . 10.0 111.082 179.859 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 61.6 t90 -109.99 -47.6 3.31 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.076 -1.015 . . . . 10.0 109.036 178.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.06 -38.47 90.9 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.454 -0.779 . . . . 10.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.408 ' CE2' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -62.98 -23.08 67.26 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.527 -0.733 . . . . 10.0 110.171 179.177 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.408 HD11 ' CE2' ' A' ' 11' ' ' TRP . 1.4 tp -93.68 -18.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.394 -0.816 . . . . 10.0 110.691 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.32 -42.88 14.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.158 -0.964 . . . . 10.0 110.354 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.32 -45.47 80.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 10.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.59 -29.78 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.447 -0.783 . . . . 10.0 109.957 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -37.87 89.05 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.497 -0.752 . . . . 10.0 109.766 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -57.27 -49.84 74.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.735 . . . . 10.0 109.909 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.9 -43.69 69.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.667 -0.646 . . . . 10.0 109.593 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -39.78 71.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.642 -0.661 . . . . 10.0 110.046 179.098 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -63.71 -44.9 92.25 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -0.821 . . . . 10.0 109.923 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -58.59 -40.43 83.2 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.541 -0.724 . . . . 10.0 109.812 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.559 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 53.5 t90 -65.32 -42.72 92.67 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.579 -0.7 . . . . 10.0 109.79 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.559 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.98 -44.04 70.25 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.474 -0.766 . . . . 10.0 110.533 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.06 -39.36 93.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 10.0 110.252 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.06 -35.53 80.05 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.512 -0.742 . . . . 10.0 110.371 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -72.49 -31.51 65.44 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.357 -0.839 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tp -72.88 -47.48 45.66 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.416 -0.802 . . . . 10.0 110.228 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.5 ttm 52.79 62.82 9.52 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.723 -0.61 . . . . 10.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.92 -167.36 0.41 Allowed 'Trans proline' 0 C--N 1.315 -1.214 0 O-C-N 123.703 1.37 . . . . 10.0 110.573 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.94 104.41 1.72 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.267 -0.896 . . . . 10.0 110.099 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.498 1.946 0 CA-C-O 117.935 -1.031 . . . . 10.0 110.44 -179.597 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 120.889 0.376 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.98 -94.58 0.18 Allowed Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.436 -1.466 . . . . 10.0 109.436 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m 55.32 37.41 28.86 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.796 -0.826 . . . . 10.0 110.987 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t90 66.99 142.68 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.604 0.716 . . . . 10.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pp -160.99 34.52 0.15 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.417 -0.802 . . . . 10.0 110.608 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.19 -46.74 10.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.213 -0.93 . . . . 10.0 110.023 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -110.1 17.55 20.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.753 . . . . 10.0 110.823 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mt -107.01 -36.97 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.16 -0.963 . . . . 10.0 109.855 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 23.0 m0 -63.89 -44.68 92.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.551 -0.718 . . . . 10.0 110.318 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.45 -41.4 89.58 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.462 -0.774 . . . . 10.0 110.447 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.509 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.09 -31.51 71.19 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.51 -0.744 . . . . 10.0 110.477 179.896 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.509 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.8 mm -93.23 -42.76 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.1 -1.0 . . . . 10.0 110.607 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -63.83 -35.31 80.2 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.37 -0.832 . . . . 10.0 111.138 -179.551 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.79 -36.52 76.9 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.983 -1.073 . . . . 10.0 110.635 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.9 t -92.1 -22.71 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.403 -0.811 . . . . 10.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mt -89.72 -43.92 10.36 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.995 -1.065 . . . . 10.0 111.14 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -60.92 -47.66 85.39 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.354 -0.841 . . . . 10.0 110.617 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.15 -40.03 84.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.409 -0.807 . . . . 10.0 109.669 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.97 -34.86 78.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.606 -0.684 . . . . 10.0 110.1 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -44.82 68.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.386 -0.821 . . . . 10.0 109.771 179.475 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.52 -39.6 73.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.506 -0.746 . . . . 10.0 109.798 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.551 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 25.6 t90 -59.78 -41.99 92.33 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.538 -0.726 . . . . 10.0 110.129 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.49 -49.99 69.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 10.0 110.658 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -34.47 77.25 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.436 -0.79 . . . . 10.0 110.749 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -23.6 67.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.44 -0.788 . . . . 10.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 2.1 tppt? -108.41 -36.62 6.19 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.122 -0.986 . . . . 10.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.45 -49.99 74.59 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.288 -0.883 . . . . 10.0 110.425 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 tpp 51.77 72.16 1.28 Allowed Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.651 -0.655 . . . . 10.0 110.622 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.69 173.44 11.8 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 O-C-N 123.705 1.371 . . . . 10.0 110.752 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -39.07 70.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.373 -0.829 . . . . 10.0 110.624 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.141 0 CA-C-O 118.043 -0.98 . . . . 10.0 110.809 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.063 0.459 . . . . 10.0 110.291 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.83 74.21 0.72 Allowed Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.614 -1.394 . . . . 10.0 109.614 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -92.03 -42.37 10.01 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.427 -1.043 . . . . 10.0 110.772 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -100.92 27.23 6.16 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.263 -0.898 . . . . 10.0 111.077 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.3 tp -88.97 -8.13 54.71 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.013 -1.055 . . . . 10.0 110.827 179.566 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -15.07 44.64 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.232 -0.918 . . . . 10.0 110.463 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.85 12.39 9.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.419 -0.8 . . . . 10.0 110.382 179.513 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.439 HG13 ' CZ3' ' A' ' 11' ' ' TRP . 6.2 tt -107.5 -34.15 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.12 -0.987 . . . . 10.0 110.709 179.364 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.407 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -72.62 -43.88 62.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.356 -0.84 . . . . 10.0 109.371 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 p-10 -55.48 -36.78 67.01 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.611 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -65.2 -51.01 63.66 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.52 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.71 -32.07 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.607 -0.683 . . . . 10.0 110.58 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -66.45 -38.24 86.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 10.0 110.199 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.05 -46.27 78.38 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.612 -0.68 . . . . 10.0 109.928 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.81 -29.26 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.654 -0.653 . . . . 10.0 110.257 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -28.84 42.7 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.36 -0.838 . . . . 10.0 110.103 179.39 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -48.7 72.37 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.334 -0.854 . . . . 10.0 110.08 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' O ' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -66.1 -23.16 66.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.295 -0.878 . . . . 10.0 109.941 179.084 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -38.13 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.418 -0.801 . . . . 10.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -79.98 -32.5 39.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.584 -0.698 . . . . 10.0 110.77 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 18' ' ' ASP . 6.1 t -56.98 -34.7 68.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.27 -0.894 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.554 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.9 t90 -66.86 -41.28 87.59 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.412 -0.805 . . . . 10.0 109.677 179.249 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -66.52 -42.17 87.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.449 -0.782 . . . . 10.0 110.284 179.64 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -41.63 84.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.538 -0.726 . . . . 10.0 110.402 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.48 73.88 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 10.0 110.479 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -43.23 18.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.372 -0.83 . . . . 10.0 110.105 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.99 -39.08 76.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.508 -0.745 . . . . 10.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.2 ttp -113.68 96.84 42.21 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.462 -0.774 . . . . 10.0 110.145 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.52 -172.36 1.28 Allowed 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 123.941 1.495 . . . . 10.0 110.799 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.84 143.18 58.05 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.353 -0.842 . . . . 10.0 110.747 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.264 -0.874 . . . . 10.0 110.509 -179.791 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 120.983 0.42 . . . . 10.0 110.317 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.02 128.47 7.06 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.625 -1.39 . . . . 10.0 109.625 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -152.25 -54.71 0.13 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.444 -1.033 . . . . 10.0 110.476 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -135.82 134.08 38.52 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.377 -0.827 . . . . 10.0 109.9 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 8' ' ' ILE . 3.6 mm? -110.29 -26.02 9.81 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.508 -0.745 . . . . 10.0 110.994 -179.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.23 -21.01 66.28 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.135 -0.978 . . . . 10.0 111.092 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -105.75 -19.87 13.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 10.0 111.116 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.452 HG21 ' CD1' ' A' ' 5' ' ' LEU . 11.7 tt -66.3 -17.63 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.185 -0.947 . . . . 10.0 111.412 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -35.96 82.05 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.028 -1.045 . . . . 10.0 109.642 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.28 -37.1 61.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.677 -0.639 . . . . 10.0 110.137 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.57 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -60.2 -49.62 76.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 10.0 109.27 178.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 2.6 mp -77.26 -29.29 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.364 -0.835 . . . . 10.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.6 t -59.39 -39.48 83.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.282 -0.886 . . . . 10.0 110.149 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.27 -56.58 10.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.512 -0.743 . . . . 10.0 110.068 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' A' ' 12' ' ' ILE . 10.5 p -62.22 -29.17 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.398 -0.814 . . . . 10.0 110.359 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 3.6 tt -62.18 -41.08 97.98 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.232 -0.918 . . . . 10.0 109.401 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -64.39 -37.91 89.18 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.606 -0.684 . . . . 10.0 109.372 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -61.74 -43.98 97.8 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 178.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -61.76 -35.52 78.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.678 -0.639 . . . . 10.0 109.506 178.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -38.38 90.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.397 -0.814 . . . . 10.0 109.09 178.622 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -63.49 -40.43 97.07 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -66.43 -40.1 89.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 10.0 109.269 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -38.11 72.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.567 -0.708 . . . . 10.0 109.538 179.251 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.8 89.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 10.0 109.139 178.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.75 84.58 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -66.93 -32.75 74.2 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.573 -0.704 . . . . 10.0 109.453 178.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -73.9 -46.11 46.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.533 -0.729 . . . . 10.0 109.643 179.221 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.86 117.52 54.45 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.641 -0.662 . . . . 10.0 110.377 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -77.02 -174.34 2.15 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.974 1.513 . . . . 10.0 110.593 179.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 76.77 6.26 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.256 -0.903 . . . . 10.0 109.759 179.643 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.956 -1.021 . . . . 10.0 110.563 -179.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.877 0.37 . . . . 10.0 110.338 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -74.92 95.5 0.92 Allowed Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -91.79 -49.57 6.19 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.464 -1.021 . . . . 10.0 110.319 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.77 -165.17 1.98 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.482 -0.761 . . . . 10.0 110.22 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' HG21 ' A' ' 8' ' ' ILE . 1.2 mp 59.52 21.81 10.34 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.674 -0.641 . . . . 10.0 111.596 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -35.12 11.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.18 -0.95 . . . . 10.0 109.506 179.017 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.44 -20.05 18.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.702 -0.624 . . . . 10.0 110.138 179.244 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.522 HG21 ' HG ' ' A' ' 5' ' ' LEU . 13.8 tt -61.6 -25.93 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.318 -0.864 . . . . 10.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -57.09 -35.47 69.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.272 -0.892 . . . . 10.0 110.529 -179.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.64 -39.23 57.73 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 10.0 110.331 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -60.18 -53.25 59.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.609 -0.682 . . . . 10.0 109.765 179.387 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.68 -30.52 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.449 -0.782 . . . . 10.0 110.269 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.63 -39.07 79.47 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.416 -0.802 . . . . 10.0 110.026 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -67.56 -48.72 66.11 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 10.0 109.686 179.257 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.84 -35.19 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.603 -0.686 . . . . 10.0 109.74 179.206 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.79 -26.21 66.85 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.49 -0.756 . . . . 10.0 110.078 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.425 -0.797 . . . . 10.0 109.726 179.224 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.83 -42.26 97.39 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.998 -0.742 . . . . 10.0 108.998 178.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.35 -35.76 80.04 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.732 -0.605 . . . . 10.0 109.737 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -61.82 -42.34 98.9 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.42 -0.8 . . . . 10.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 m -66.42 -42.69 87.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.604 -0.685 . . . . 10.0 109.692 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -62.43 -42.93 99.81 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.586 -0.696 . . . . 10.0 109.811 179.302 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 tp -71.77 -37.92 70.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.543 -0.723 . . . . 10.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -70.42 -33.85 71.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.284 -0.885 . . . . 10.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.69 85.08 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.461 -0.774 . . . . 10.0 110.212 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -22.64 31.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.457 -0.777 . . . . 10.0 110.489 179.628 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.48 113.22 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.799 -0.563 . . . . 10.0 110.472 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.475 ' SD ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER 67.89 120.24 0.03 OUTLIER Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.816 -0.553 . . . . 10.0 110.74 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HD2' ' SD ' ' A' ' 28' ' ' MET . 45.8 Cg_endo -71.28 -168.46 0.34 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 O-C-N 123.798 1.42 . . . . 10.0 110.796 179.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 81.87 8.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.323 -0.861 . . . . 10.0 109.83 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 117.928 -1.034 . . . . 10.0 110.545 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 120.777 0.322 . . . . 10.0 110.44 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.27 114.74 0.31 Allowed Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.113 -1.195 . . . . 10.0 110.113 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -161.39 -76.63 0.05 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.605 -0.938 . . . . 10.0 109.963 179.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.448 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -160.05 -150.44 0.22 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.505 -0.747 . . . . 10.0 109.903 179.756 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -56.71 -27.82 59.81 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.262 -0.899 . . . . 10.0 110.973 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -28.43 68.21 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.213 -0.929 . . . . 10.0 109.804 179.044 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -100.47 -32.55 10.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.823 -0.548 . . . . 10.0 110.202 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 1.2 tt -59.63 -37.19 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.487 -0.758 . . . . 10.0 110.487 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -35.37 80.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.969 -1.082 . . . . 10.0 109.301 178.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.49 -41.88 92.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.744 -0.597 . . . . 10.0 109.827 179.06 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -63.58 -33.84 76.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 10.0 109.789 179.549 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.404 HG12 ' CD1' ' A' ' 11' ' ' TRP . 6.8 mm -79.97 -14.44 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 10.0 110.684 179.121 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t -94.04 -10.48 33.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.985 -1.072 . . . . 10.0 111.456 -179.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -102.25 -55.07 2.55 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.996 -1.065 . . . . 10.0 110.66 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.7 t -57.54 -37.42 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.51 -0.744 . . . . 10.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.37 -42.53 75.06 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.369 -0.832 . . . . 10.0 110.197 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 -40.55 83.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.466 -0.771 . . . . 10.0 109.649 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.84 -38.11 89.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.48 -0.763 . . . . 10.0 109.331 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.81 -39.33 61.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.625 -0.672 . . . . 10.0 110.196 179.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -68.39 -48.68 64.06 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.278 -0.889 . . . . 10.0 109.656 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.4 m -61.5 -41.15 96.86 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.587 -0.696 . . . . 10.0 109.83 179.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.495 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 12.7 t90 -65.81 -38.79 89.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 10.0 110.254 179.497 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.495 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -60.37 -47.98 83.72 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.362 -0.836 . . . . 10.0 110.264 -179.81 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -37.38 78.43 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 10.0 109.877 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.458 -0.776 . . . . 10.0 109.942 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.01 44.93 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.564 -0.71 . . . . 10.0 110.106 179.475 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt -95.29 -144.11 0.26 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.344 -0.848 . . . . 10.0 110.039 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.622 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 17.0 ttt -173.21 -58.7 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.115 -0.991 . . . . 10.0 110.778 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.622 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 47.5 Cg_endo -71.42 79.77 1.43 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 O-C-N 123.341 1.18 . . . . 10.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.16 58.52 0.24 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.446 -0.784 . . . . 10.0 109.801 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 117.92 -1.038 . . . . 10.0 110.458 -179.726 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 120.9 0.381 . . . . 10.0 110.515 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.49 150.79 26.02 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.75 -1.34 . . . . 10.0 109.75 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.08 43.79 23.68 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.685 -0.891 . . . . 10.0 110.642 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.456 ' HE3' ' HB3' ' A' ' 7' ' ' ASP . 61.7 p-90 -76.98 118.33 19.46 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.287 -0.883 . . . . 10.0 110.533 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' O ' HG22 ' A' ' 8' ' ' ILE . 4.5 tp -123.66 -26.08 4.22 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.511 -0.743 . . . . 10.0 111.234 -179.224 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.4 74.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.968 -1.082 . . . . 10.0 110.079 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.456 ' HB3' ' HE3' ' A' ' 4' ' ' TRP . 23.6 t70 -79.55 -38.94 33.01 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.561 -0.712 . . . . 10.0 110.394 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 5' ' ' LEU . 6.5 tt -71.7 -26.69 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.218 -0.927 . . . . 10.0 110.649 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -60.09 -38.07 81.81 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.3 -0.875 . . . . 10.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.76 -39.36 68.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.564 -0.71 . . . . 10.0 110.213 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.28 -49.89 75.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.62 -0.675 . . . . 10.0 109.507 179.132 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 10.0 110.044 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -57.71 -42.18 83.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.465 -0.772 . . . . 10.0 110.203 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -47.23 82.72 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.477 -0.764 . . . . 10.0 109.691 179.314 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.99 -35.63 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.651 -0.655 . . . . 10.0 109.707 179.229 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.16 -42.43 80.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.503 -0.748 . . . . 10.0 109.777 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 10.0 109.511 179.081 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -41.1 87.88 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.805 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.57 -36.76 79.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.68 -0.638 . . . . 10.0 110.043 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.427 -0.796 . . . . 10.0 109.761 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.0 m -66.0 -39.9 90.69 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.576 -0.703 . . . . 10.0 109.517 179.017 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.582 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 45.7 t90 -65.53 -46.54 79.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.646 -0.659 . . . . 10.0 109.567 179.305 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.582 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -66.54 -44.17 83.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.48 -0.762 . . . . 10.0 109.982 179.69 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -60.98 -37.4 82.31 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.509 -0.744 . . . . 10.0 109.923 179.399 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' HA ' ' HG2' ' A' ' 29' ' ' PRO . . . -75.18 -35.59 61.56 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.527 -0.733 . . . . 10.0 110.233 179.281 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -80.53 -6.87 58.85 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.276 -0.89 . . . . 10.0 110.976 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.16 -45.14 4.79 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.104 -0.997 . . . . 10.0 110.973 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.604 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 3.6 mtt -91.93 -67.65 0.11 Allowed Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.208 -0.933 . . . . 10.0 110.782 -179.453 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.604 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 52.0 Cg_endo -78.81 56.93 6.17 Favored 'Trans proline' 0 N--CA 1.487 1.088 0 O-C-N 123.113 1.06 . . . . 10.0 110.622 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -155.87 99.91 2.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.317 -0.864 . . . . 10.0 109.893 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 118.286 -0.864 . . . . 10.0 110.201 -179.857 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 121.114 0.483 . . . . 10.0 110.475 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.64 79.42 0.07 OUTLIER Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.529 -1.428 . . . . 10.0 109.529 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 m -90.24 -48.64 7.03 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.485 -1.009 . . . . 10.0 110.501 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.63 162.3 38.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.45 -0.781 . . . . 10.0 110.126 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -129.09 -21.45 3.28 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.481 -0.762 . . . . 10.0 111.916 -179.413 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 ttm105 -68.03 -19.73 64.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.006 -1.059 . . . . 10.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.85 -30.51 8.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 10.0 111.238 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.408 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -60.58 -34.93 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.102 -0.999 . . . . 10.0 110.536 -179.681 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -79.75 -33.29 40.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.208 -0.932 . . . . 10.0 109.35 178.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.9 -38.36 88.05 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.616 -0.678 . . . . 10.0 110.034 179.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.514 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -56.14 -33.97 65.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.509 -0.744 . . . . 10.0 109.992 179.476 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.514 HG12 ' CD1' ' A' ' 11' ' ' TRP . 2.6 mm -94.14 -39.16 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.154 -0.966 . . . . 10.0 110.158 179.234 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.18 -43.25 74.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.437 -0.789 . . . . 10.0 110.889 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.28 -46.53 83.29 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.377 -0.827 . . . . 10.0 110.357 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.1 t -58.1 -36.6 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.373 -0.83 . . . . 10.0 110.235 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -40.08 33.85 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -0.774 . . . . 10.0 109.977 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.465 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 7.8 t -64.69 -41.02 96.34 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.41 -0.806 . . . . 10.0 110.365 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -30.73 71.34 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.24 -0.912 . . . . 10.0 109.626 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -78.08 -38.63 43.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.493 -0.754 . . . . 10.0 110.411 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -63.55 -28.35 69.88 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.383 -0.823 . . . . 10.0 110.671 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.528 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 83.3 m -82.91 -37.58 24.03 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.233 -0.917 . . . . 10.0 109.376 179.225 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.557 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 19.5 t90 -64.36 -40.96 96.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.561 -0.712 . . . . 10.0 109.559 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.95 -47.44 80.44 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.498 -0.751 . . . . 10.0 110.107 179.694 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -64.69 -45.88 84.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.559 -0.713 . . . . 10.0 109.61 179.34 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.93 94.85 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.655 -0.653 . . . . 10.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -60.63 -36.35 78.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.484 -0.76 . . . . 10.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -52.15 9.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.638 -0.664 . . . . 10.0 110.018 179.445 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.6 ptm -166.52 125.68 1.13 Allowed Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.631 -0.668 . . . . 10.0 110.512 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -73.99 -173.66 1.48 Allowed 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.667 1.351 . . . . 10.0 110.658 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -78.77 80.26 5.13 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.321 -0.862 . . . . 10.0 109.969 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 118.222 -0.894 . . . . 10.0 110.347 -179.745 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 120.988 0.423 . . . . 10.0 110.276 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 107.04 129.57 6.23 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.562 -1.415 . . . . 10.0 109.562 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -151.93 -60.74 0.16 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.449 -1.03 . . . . 10.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.515 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 2.7 m95 -109.67 -158.66 0.65 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.273 -0.892 . . . . 10.0 110.522 -179.582 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 3.5 mm? 68.07 -62.6 0.35 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.84 -0.538 . . . . 10.0 110.666 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -24.57 53.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.178 -0.951 . . . . 10.0 110.017 178.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -101.29 -35.23 9.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.462 -0.774 . . . . 10.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.452 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 10.4 tt -63.39 -31.93 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.134 -0.979 . . . . 10.0 110.332 179.728 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.446 ' CZ2' HD13 ' A' ' 5' ' ' LEU . 44.2 m0 -64.62 -37.63 88.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.407 -0.808 . . . . 10.0 109.659 179.531 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.98 -40.32 76.3 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.731 -0.606 . . . . 10.0 109.633 179.066 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.53 -49.93 74.74 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 179.136 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -73.62 -26.81 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.44 -0.788 . . . . 10.0 109.86 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.79 -46.5 81.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.419 -0.8 . . . . 10.0 110.235 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -45.69 65.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 109.885 179.347 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.01 -34.35 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.506 -0.746 . . . . 10.0 110.409 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -85.23 -27.47 26.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.421 -0.799 . . . . 10.0 110.757 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.4 t -59.35 -49.05 79.29 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.335 -0.853 . . . . 10.0 110.665 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -56.34 -39.47 72.89 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.311 -0.868 . . . . 10.0 109.557 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -64.87 -30.81 71.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.612 -0.68 . . . . 10.0 109.842 178.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.3 tptp -84.75 -30.12 24.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 10.0 110.237 179.474 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -53.81 -48.75 69.57 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.336 -0.853 . . . . 10.0 109.193 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.436 ' HE3' HD21 ' A' ' 23' ' ' LEU . 80.6 t90 -70.39 -39.19 74.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.491 -0.756 . . . . 10.0 108.982 178.489 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -58.9 -35.11 72.49 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.646 -0.659 . . . . 10.0 109.698 179.132 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -68.51 -34.48 75.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.379 -0.826 . . . . 10.0 109.903 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.48 -47.02 77.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.422 -0.799 . . . . 10.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.96 -19.85 53.78 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.359 -0.838 . . . . 10.0 111.231 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.41 -44.25 9.76 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.017 -1.052 . . . . 10.0 110.132 179.605 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.3 ttp 54.71 67.33 3.36 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.624 -0.672 . . . . 10.0 110.892 179.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -75.64 165.02 31.16 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 O-C-N 123.82 1.432 . . . . 10.0 110.281 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.87 147.03 54.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.434 -0.791 . . . . 10.0 110.461 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.87 -1.062 . . . . 10.0 110.507 -179.844 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.021 0.439 . . . . 10.0 110.352 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.29 62.2 0.01 OUTLIER Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.001 -1.24 . . . . 10.0 110.001 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 51.29 38.14 20.63 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.69 -0.888 . . . . 10.0 111.18 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.18 -162.73 1.18 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.376 -0.827 . . . . 10.0 109.931 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' HA ' HG21 ' A' ' 8' ' ' ILE . 0.3 OUTLIER 57.06 29.04 15.83 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.736 -0.603 . . . . 10.0 111.303 179.869 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -96.14 -40.63 9.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.212 -0.93 . . . . 10.0 109.6 179.045 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.16 -18.97 18.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 10.0 110.34 179.424 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 5' ' ' LEU . 15.8 tt -62.4 -28.84 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.265 -0.897 . . . . 10.0 110.741 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -74.53 -41.23 60.98 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.189 -0.944 . . . . 10.0 109.583 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.15 -46.38 87.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.615 -0.678 . . . . 10.0 110.254 179.765 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -59.64 -36.78 77.06 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.543 -0.723 . . . . 10.0 109.978 179.746 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mm -71.7 -37.78 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.302 -0.874 . . . . 10.0 109.847 179.265 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.98 -35.68 81.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.586 -0.696 . . . . 10.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -42.17 89.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.538 -0.726 . . . . 10.0 109.914 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.1 t -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.5 -0.75 . . . . 10.0 109.681 179.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -42.51 96.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.445 -0.785 . . . . 10.0 110.489 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -63.26 -40.12 96.53 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.432 -0.792 . . . . 10.0 109.651 179.476 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -41.07 96.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 10.0 109.185 178.547 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -70.37 -36.85 74.39 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.674 -0.642 . . . . 10.0 109.608 178.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -43.88 92.16 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.63 -0.669 . . . . 10.0 109.641 179.225 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.6 m -61.42 -43.62 98.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.566 -0.709 . . . . 10.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.408 ' HE3' HD22 ' A' ' 23' ' ' LEU . 89.1 t90 -66.23 -38.88 88.96 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.623 -0.673 . . . . 10.0 109.784 179.072 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.36 -37.46 87.12 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.449 -0.782 . . . . 10.0 110.184 179.455 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -41.28 98.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.445 -0.785 . . . . 10.0 109.895 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.6 84.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.584 -0.698 . . . . 10.0 110.033 179.432 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -87.11 -6.21 58.75 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.464 -0.773 . . . . 10.0 110.716 179.45 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER 70.48 118.38 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.714 -0.616 . . . . 10.0 110.646 -179.806 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 52.7 mtm -90.0 114.59 61.37 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.499 -0.751 . . . . 10.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -75.99 -174.61 2.13 Favored 'Trans proline' 0 C--N 1.315 -1.192 0 O-C-N 123.792 1.417 . . . . 10.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -70.49 106.8 3.57 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.314 -0.866 . . . . 10.0 109.995 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.015 -0.993 . . . . 10.0 110.286 -179.822 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.3 m . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 120.852 0.358 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.8 -125.59 2.7 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.59 -1.404 . . . . 10.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -132.01 -49.17 0.94 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.611 -0.935 . . . . 10.0 110.713 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -154.07 -159.01 0.92 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.424 -0.797 . . . . 10.0 110.217 -179.679 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.05 -58.39 0.57 Allowed 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.724 -0.61 . . . . 10.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.98 -28.16 55.87 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.458 -0.776 . . . . 10.0 110.38 179.519 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.48 -31.3 11.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.385 -0.822 . . . . 10.0 110.451 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.44 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 2.8 tp -68.93 -31.58 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.042 -1.036 . . . . 10.0 110.146 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -79.05 -39.69 33.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.241 -0.912 . . . . 10.0 109.033 178.744 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -41.62 96.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 10.0 110.175 179.418 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.44 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.1 -38.49 91.4 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.561 -0.712 . . . . 10.0 109.887 179.618 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 3.7 mm -68.87 -33.83 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.276 -0.89 . . . . 10.0 109.765 179.031 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -37.01 81.81 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.856 . . . . 10.0 110.087 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.96 -46.8 88.26 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.567 -0.708 . . . . 10.0 109.799 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -76.52 -24.51 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 110.107 179.283 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 1.1 tt -62.41 -46.47 88.42 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.337 -0.852 . . . . 10.0 110.315 179.704 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 p -64.12 -40.77 96.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.424 -0.798 . . . . 10.0 109.761 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -37.05 82.31 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.656 -0.653 . . . . 10.0 109.346 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.48 -38.76 77.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.718 . . . . 10.0 110.076 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.418 -0.801 . . . . 10.0 109.731 179.366 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -59.91 -40.98 90.67 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.622 -0.674 . . . . 10.0 109.79 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -62.82 -39.93 95.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 10.0 109.781 179.353 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -61.03 -46.22 91.61 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.509 -0.744 . . . . 10.0 109.777 179.348 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -63.5 -28.7 70.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.532 -0.73 . . . . 10.0 110.403 179.571 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.66 69.98 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.237 -0.914 . . . . 10.0 109.929 179.428 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.91 -34.38 9.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.508 -0.745 . . . . 10.0 110.133 179.269 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.52 -167.09 1.71 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.383 -0.823 . . . . 10.0 110.623 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.541 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 1.3 mtm -165.31 -60.83 0.01 OUTLIER Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.503 -0.748 . . . . 10.0 110.222 179.589 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 53.6 Cg_endo -79.6 60.49 7.84 Favored 'Trans proline' 0 N--CA 1.487 1.137 0 O-C-N 123.367 1.193 . . . . 10.0 110.49 179.52 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -159.66 49.28 0.31 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.165 -0.959 . . . . 10.0 110.316 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.853 -1.07 . . . . 10.0 110.323 179.822 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 120.772 0.32 . . . . 10.0 110.357 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.04 54.42 33.21 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.548 -1.421 . . . . 10.0 109.548 -179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 m 54.49 39.18 30.88 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.813 -0.816 . . . . 10.0 110.883 -179.764 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.504 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -157.01 -157.13 0.66 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.376 -0.828 . . . . 10.0 110.203 179.786 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 0.3 OUTLIER 74.63 -43.1 0.51 Allowed 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.991 -0.443 . . . . 10.0 111.123 -179.743 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.482 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -64.23 -14.31 54.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.998 -1.064 . . . . 10.0 110.399 178.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -98.12 -39.33 8.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.384 -0.823 . . . . 10.0 109.871 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 5' ' ' LEU . 12.8 tt -61.28 -27.32 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 10.0 110.672 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.482 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 46.3 m0 -64.75 -46.09 83.65 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.195 -0.94 . . . . 10.0 109.529 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -45.37 78.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.711 -0.618 . . . . 10.0 109.743 179.086 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -61.31 -50.03 74.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.763 -0.585 . . . . 10.0 109.614 179.175 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mm -78.62 2.1 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.297 -0.877 . . . . 10.0 111.441 -179.479 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -110.25 -46.13 3.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.86 -1.15 . . . . 10.0 109.882 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -44.74 21.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.519 -0.738 . . . . 10.0 110.502 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.39 -28.94 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.257 -0.902 . . . . 10.0 110.082 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -21.77 30.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 10.0 110.452 179.524 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -64.16 -61.93 1.94 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.169 -0.957 . . . . 10.0 110.128 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -56.85 -27.28 60.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.343 -0.848 . . . . 10.0 110.256 179.508 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -79.89 -34.54 39.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.302 -0.874 . . . . 10.0 110.432 179.312 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -85.28 -42.03 15.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.246 -0.909 . . . . 10.0 110.458 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.7 m -55.16 -46.54 75.74 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.476 -0.765 . . . . 10.0 109.963 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -65.18 -43.53 91.4 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.507 -0.746 . . . . 10.0 109.68 179.179 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -41.46 94.53 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.511 -0.743 . . . . 10.0 110.099 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -60.15 -41.25 92.34 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.504 -0.747 . . . . 10.0 110.19 179.621 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.37 80.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.746 . . . . 10.0 110.255 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -79.86 -27.11 40.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.386 -0.822 . . . . 10.0 110.771 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -40.23 80.82 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.374 -0.829 . . . . 10.0 110.654 -179.748 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 37.8 mtm 53.32 77.38 0.45 Allowed Pre-proline 0 N--CA 1.501 2.1 0 O-C-N 121.698 -0.626 . . . . 10.0 110.643 -179.82 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -74.65 64.63 5.73 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.925 1.487 . . . . 10.0 110.98 -179.804 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -159.75 35.38 0.19 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.249 -0.907 . . . . 10.0 110.45 179.819 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 118.147 -0.93 . . . . 10.0 110.336 -179.783 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.242 0.544 . . . . 10.0 110.137 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.0 84.28 0.42 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.602 -1.399 . . . . 10.0 109.602 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -133.56 -69.77 0.54 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.434 -1.039 . . . . 10.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.51 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -163.6 -146.48 0.1 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.235 -0.915 . . . . 10.0 110.445 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 6' ' ' ARG . 1.3 pt? -60.01 -26.84 66.4 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.268 -0.895 . . . . 10.0 110.923 -179.641 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.496 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 1.1 mtt85 -76.05 -2.38 30.43 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.338 -0.851 . . . . 10.0 109.986 178.793 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.56 -39.69 2.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.481 -0.762 . . . . 10.0 109.332 179.332 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.486 HG23 ' HA ' ' A' ' 5' ' ' LEU . 10.0 tt -65.06 -33.28 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.59 -0.694 . . . . 10.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -63.54 -24.29 67.75 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.31 -34.13 77.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.311 178.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -68.75 -48.56 63.44 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.708 -0.62 . . . . 10.0 110.062 179.469 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.81 -48.26 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.333 -0.854 . . . . 10.0 110.394 -179.486 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -58.19 -42.31 85.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.622 -0.674 . . . . 10.0 110.484 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.73 -51.35 68.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.637 -0.665 . . . . 10.0 109.913 179.628 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.88 -32.29 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.475 -0.766 . . . . 10.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -37.67 86.94 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.505 -0.747 . . . . 10.0 110.424 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -60.55 -45.39 94.07 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.451 -0.78 . . . . 10.0 109.74 179.542 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.45 -44.15 97.62 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.543 -0.723 . . . . 10.0 109.116 178.781 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CE2' HD22 ' A' ' 23' ' ' LEU . 3.5 t80 -66.67 -34.1 77.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.781 -0.574 . . . . 10.0 110.404 179.388 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.98 92.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.389 -0.819 . . . . 10.0 110.033 179.823 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -68.07 -41.83 81.35 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.461 -0.774 . . . . 10.0 109.653 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -64.4 -44.07 92.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.566 -0.709 . . . . 10.0 110.057 179.506 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD22 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -63.26 -42.5 99.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.453 -0.779 . . . . 10.0 110.2 179.807 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -60.84 -41.37 95.66 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.434 -0.791 . . . . 10.0 110.535 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -23.55 66.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.446 -0.784 . . . . 10.0 110.824 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -105.75 -18.14 14.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.323 -0.861 . . . . 10.0 110.853 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.3 -41.62 63.36 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.229 -0.92 . . . . 10.0 110.617 -179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.434 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -59.08 -54.2 58.83 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.398 -0.814 . . . . 10.0 110.608 179.952 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.46 ' C ' ' HG2' ' A' ' 30' ' ' GLN . 49.8 Cg_endo -76.04 -172.52 1.37 Allowed 'Trans proline' 0 N--CA 1.488 1.19 0 O-C-N 123.572 1.301 . . . . 10.0 110.433 179.609 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' HG2' ' C ' ' A' ' 29' ' ' PRO . 3.4 pt20 31.02 61.38 0.23 Allowed 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 121.294 0.568 . . . . 10.0 111.843 179.734 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 117.851 -1.071 . . . . 10.0 110.457 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.016 0.436 . . . . 10.0 110.409 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.45 -150.35 40.03 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.824 -1.31 . . . . 10.0 109.824 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -127.86 -62.86 1.05 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.469 -1.018 . . . . 10.0 110.439 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.59 -169.05 2.88 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.275 -0.891 . . . . 10.0 110.54 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.697 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -72.63 67.74 0.79 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.36 0.6 . . . . 10.0 110.564 179.759 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -73.46 -37.36 65.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.388 -0.82 . . . . 10.0 109.62 179.102 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.36 -20.15 60.19 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.674 -0.641 . . . . 10.0 110.449 179.263 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.697 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -52.44 -35.71 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.405 -0.809 . . . . 10.0 110.539 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -79.55 -40.39 29.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 10.0 109.196 179.308 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.88 -41.77 97.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.594 -0.691 . . . . 10.0 109.864 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -36.79 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.714 . . . . 10.0 109.675 179.395 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.442 HD11 ' HA ' ' A' ' 12' ' ' ILE . 4.2 mm -75.46 -33.48 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.249 -0.907 . . . . 10.0 109.953 179.014 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.84 -19.95 66.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 10.0 110.674 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -99.6 -14.73 18.86 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.37 -0.831 . . . . 10.0 110.96 179.682 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 p -105.06 -0.82 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.102 -0.999 . . . . 10.0 111.34 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -107.92 -37.11 6.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.942 -1.099 . . . . 10.0 111.231 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -57.14 -51.72 68.17 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.292 -0.88 . . . . 10.0 110.594 -179.508 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.6 -31.88 66.64 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.375 -0.828 . . . . 10.0 110.088 179.267 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -83.8 -12.19 55.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.516 -0.74 . . . . 10.0 110.873 179.508 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -109.68 3.62 21.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.112 -0.992 . . . . 10.0 110.76 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.7 m -99.16 -39.49 8.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.208 -0.932 . . . . 10.0 110.29 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.465 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.2 p-90 -64.22 -26.04 68.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.227 -0.921 . . . . 10.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.185 -0.947 . . . . 10.0 109.649 178.826 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.0 36.69 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.678 -0.639 . . . . 10.0 109.76 179.339 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.87 92.52 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.418 -0.801 . . . . 10.0 110.163 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -20.52 29.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.439 -0.788 . . . . 10.0 110.375 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.12 80.97 0.2 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.558 -0.713 . . . . 10.0 110.285 -179.675 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 29.9 ttm -99.52 127.6 33.81 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.407 -0.808 . . . . 10.0 110.078 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.23 -174.81 1.71 Allowed 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.935 1.492 . . . . 10.0 110.582 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.91 108.08 2.89 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.319 -0.863 . . . . 10.0 109.969 179.761 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 117.906 -1.045 . . . . 10.0 110.513 -179.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 121.107 0.48 . . . . 10.0 110.471 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.4 111.08 3.23 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.431 -1.467 . . . . 10.0 109.431 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 p -132.12 -71.41 0.55 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.476 -1.014 . . . . 10.0 110.771 -179.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -145.14 -149.86 0.3 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.323 -0.861 . . . . 10.0 110.151 -179.701 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp 57.32 32.69 22.16 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.548 -0.72 . . . . 10.0 111.257 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -98.06 -40.3 8.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.261 -0.899 . . . . 10.0 109.709 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -19.86 17.99 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.618 -0.676 . . . . 10.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 tt -59.53 -34.04 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.155 -0.966 . . . . 10.0 110.347 179.779 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.432 ' HA ' HD13 ' A' ' 12' ' ' ILE . 44.6 m0 -67.03 -37.82 84.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.39 -0.819 . . . . 10.0 109.193 179.104 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -57.45 -35.97 70.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.701 -0.624 . . . . 10.0 109.596 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -62.3 -50.19 72.66 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.603 -0.686 . . . . 10.0 109.302 179.115 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 9' ' ' TRP . 3.5 mt -71.07 -32.0 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.307 -0.871 . . . . 10.0 109.659 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.0 t -55.68 -42.77 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.493 -0.754 . . . . 10.0 110.17 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.2 -43.9 60.62 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.4 -0.813 . . . . 10.0 109.858 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.76 -34.39 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 10.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.41 -35.48 46.97 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 10.0 110.58 -179.815 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.04 -51.12 65.04 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.214 -0.929 . . . . 10.0 110.555 -179.848 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.21 -40.09 94.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.403 -0.811 . . . . 10.0 109.011 178.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -32.92 74.49 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.655 -0.653 . . . . 10.0 109.897 178.878 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -65.63 -43.27 90.01 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.482 -0.761 . . . . 10.0 109.47 179.35 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -59.75 -42.14 92.54 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.62 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -65.96 -43.05 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 10.0 109.507 178.726 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -40.92 97.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.51 -0.744 . . . . 10.0 110.095 179.533 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.83 85.34 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.605 -0.684 . . . . 10.0 110.099 179.542 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.85 96.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.695 . . . . 10.0 109.561 179.225 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.18 -36.79 72.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 10.0 109.664 178.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.76 -145.03 0.1 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.562 -0.711 . . . . 10.0 109.694 179.488 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 ttt 60.7 99.03 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.466 -0.771 . . . . 10.0 110.69 -179.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -75.86 53.06 3.57 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 O-C-N 123.634 1.334 . . . . 10.0 110.712 179.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.38 46.47 0.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.25 -0.906 . . . . 10.0 110.063 -179.896 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.496 1.871 0 O-C-N 121.26 -0.9 . . . . 10.0 110.931 -179.775 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.5 m . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.07 0.462 . . . . 10.0 110.431 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.83 -141.09 24.94 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.712 -1.355 . . . . 10.0 109.712 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 m -123.52 -61.2 1.42 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.5 -1.0 . . . . 10.0 110.424 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.4 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -156.29 -174.56 5.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.315 -0.866 . . . . 10.0 110.417 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 1.8 mp 58.11 25.59 12.62 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.666 -0.646 . . . . 10.0 111.181 -179.82 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -44.74 61.57 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.12 -0.987 . . . . 10.0 110.352 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 11' ' ' TRP . 8.1 t70 -94.74 -25.93 16.48 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.465 -0.772 . . . . 10.0 110.654 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.418 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -57.46 -37.46 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.992 -1.068 . . . . 10.0 110.167 179.902 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -82.08 -34.2 29.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 10.0 109.131 179.002 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.38 -46.65 69.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.598 -0.689 . . . . 10.0 109.735 179.091 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.419 ' HB3' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -57.47 -37.85 73.56 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.627 -0.671 . . . . 10.0 109.424 179.341 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mm -68.21 -37.64 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.458 -0.776 . . . . 10.0 109.612 179.049 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.15 -39.55 94.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.444 -0.785 . . . . 10.0 110.244 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.3 -49.69 66.19 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.434 -0.791 . . . . 10.0 110.433 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.73 -28.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.415 -0.803 . . . . 10.0 110.972 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.43 -33.33 32.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 10.0 110.49 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -58.46 -46.85 85.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.36 -44.27 97.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.436 -0.79 . . . . 10.0 109.175 178.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.71 -29.09 66.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 10.0 110.268 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -47.39 65.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.394 -0.816 . . . . 10.0 110.048 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -60.56 -41.8 95.32 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.47 -0.768 . . . . 10.0 109.832 179.466 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.522 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 65.7 t90 -64.43 -45.4 87.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.569 -0.707 . . . . 10.0 109.896 179.355 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.522 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.82 -45.0 68.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.442 -0.786 . . . . 10.0 110.355 179.872 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -38.46 88.12 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.337 -0.852 . . . . 10.0 110.195 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.19 86.56 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.498 -0.751 . . . . 10.0 109.884 179.234 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -79.49 -32.44 42.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.517 -0.739 . . . . 10.0 110.294 179.532 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.73 -46.87 28.62 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 10.0 110.351 -179.831 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.6 mtp 65.1 163.77 0.12 Allowed Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.984 -0.448 . . . . 10.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -78.69 -177.12 3.66 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 O-C-N 123.702 1.37 . . . . 10.0 110.583 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -72.15 93.29 1.42 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.384 -0.823 . . . . 10.0 110.312 179.795 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 118.19 -0.909 . . . . 10.0 110.293 -179.652 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 120.876 0.369 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.66 88.24 1.93 Allowed Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.515 -1.434 . . . . 10.0 109.515 -179.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 t -85.05 -40.59 16.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.545 -0.973 . . . . 10.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -137.64 123.59 20.18 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.411 -0.805 . . . . 10.0 110.269 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp -115.34 -37.04 4.14 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.463 -0.773 . . . . 10.0 110.597 -179.786 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -40.43 66.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.364 -0.835 . . . . 10.0 110.17 179.451 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.56 -28.46 69.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.474 -0.766 . . . . 10.0 110.552 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.431 HG21 HD11 ' A' ' 8' ' ' ILE . 4.1 mt -81.06 -31.89 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.35 -0.844 . . . . 10.0 109.48 179.373 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.448 ' HA ' ' HE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -59.21 -41.06 87.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 10.0 110.535 -179.52 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.95 -35.94 82.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.471 -0.768 . . . . 10.0 110.237 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.523 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.71 -33.19 69.92 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.443 -0.786 . . . . 10.0 109.811 179.464 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.6 mm -94.07 -31.34 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.216 -0.928 . . . . 10.0 110.299 179.212 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -74.48 -45.59 45.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.316 -0.865 . . . . 10.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.11 -51.45 69.97 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.518 -0.739 . . . . 10.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.7 -32.22 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.522 -0.736 . . . . 10.0 110.735 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.62 83.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.327 -0.858 . . . . 10.0 109.747 179.298 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -40.92 95.32 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.505 -0.747 . . . . 10.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.12 -37.12 79.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.519 -0.738 . . . . 10.0 109.398 178.719 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -80.83 -10.15 59.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.633 -0.667 . . . . 10.0 111.083 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -109.57 6.16 23.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.043 -1.036 . . . . 10.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -101.97 -40.53 6.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.054 -1.029 . . . . 10.0 110.207 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 40.2 p-90 -64.05 -26.54 68.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 10.0 111.161 -179.787 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -70.79 -39.11 73.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.114 -0.991 . . . . 10.0 110.075 179.211 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.89 -28.93 62.48 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.564 -0.71 . . . . 10.0 110.527 179.529 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 -33.2 12.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 10.0 110.347 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -28.55 57.52 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.344 -0.847 . . . . 10.0 110.743 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 8.2 mp -87.26 -52.86 5.15 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 10.0 110.37 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 92.73 38.43 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.472 -0.767 . . . . 10.0 110.467 -179.839 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HB2' ' H ' ' A' ' 30' ' ' GLN . 51.1 Cg_endo -75.74 -143.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 124.04 1.548 . . . . 10.0 109.318 179.222 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -72.61 -158.47 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.686 -1.259 . . . . 10.0 109.896 179.556 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 30' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.301 0 CA-C-O 117.626 -1.178 . . . . 10.0 110.632 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 120.952 0.406 . . . . 10.0 110.135 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.67 159.44 14.14 Favored Glycine 0 N--CA 1.496 2.693 0 N-CA-C 109.827 -1.309 . . . . 10.0 109.827 -179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -110.19 10.26 23.81 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.358 -1.084 . . . . 10.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -133.41 60.96 1.69 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.131 -0.981 . . . . 10.0 110.089 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.8 mm? -84.79 -35.2 22.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.496 -0.753 . . . . 10.0 110.208 179.78 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -19.33 63.12 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.398 -0.814 . . . . 10.0 110.878 179.702 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.58 -33.7 9.81 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.353 -0.842 . . . . 10.0 110.461 -179.878 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.504 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 5.4 tp -65.77 -24.06 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.187 -0.946 . . . . 10.0 110.384 179.583 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -70.11 -39.67 75.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.985 -1.072 . . . . 10.0 109.364 179.065 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.33 -50.64 66.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.739 -0.601 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.504 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -57.98 -35.16 70.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.422 -0.799 . . . . 10.0 109.957 179.718 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 12' ' ' ILE . 4.5 mm -69.27 -39.99 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.247 -0.908 . . . . 10.0 109.638 179.017 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.64 -32.25 70.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.53 -0.731 . . . . 10.0 109.898 179.28 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.34 -41.2 98.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.635 -0.665 . . . . 10.0 109.825 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.26 -31.12 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.419 -0.8 . . . . 10.0 109.642 179.319 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.68 -38.97 80.77 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.481 -0.762 . . . . 10.0 110.753 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -60.43 -38.91 85.6 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.384 -0.822 . . . . 10.0 110.463 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.53 -37.51 87.59 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.202 -0.936 . . . . 10.0 109.235 178.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -68.36 -23.13 64.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.665 -0.647 . . . . 10.0 110.31 179.073 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -88.16 -24.96 23.19 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.033 -1.042 . . . . 10.0 110.125 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -60.51 -50.15 74.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.517 -0.74 . . . . 10.0 110.714 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.477 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 18.2 p-90 -68.92 -24.83 64.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.152 -0.967 . . . . 10.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -73.1 -38.35 66.39 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.167 -0.958 . . . . 10.0 109.708 178.845 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -68.96 -37.19 78.68 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.545 -0.722 . . . . 10.0 109.809 179.14 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.11 86.38 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 10.0 110.213 179.508 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -80.07 -39.57 29.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.429 -0.794 . . . . 10.0 110.126 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.05 -38.79 86.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.609 -0.682 . . . . 10.0 110.057 179.648 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 ttt 56.05 75.01 0.62 Allowed Pre-proline 0 N--CA 1.5 2.035 0 O-C-N 121.805 -0.56 . . . . 10.0 110.501 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.77 -170.76 0.64 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 124.002 1.528 . . . . 10.0 110.63 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.33 120.96 11.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.283 -0.886 . . . . 10.0 110.045 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 117.819 -1.086 . . . . 10.0 110.783 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.007 0.432 . . . . 10.0 110.276 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.73 50.14 60.21 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 109.629 -1.388 . . . . 10.0 109.629 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m -126.24 59.78 1.33 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.515 -0.991 . . . . 10.0 109.884 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -123.11 -164.67 1.22 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.469 -0.769 . . . . 10.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.649 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.42 59.74 1.1 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.715 -0.615 . . . . 10.0 110.889 -179.884 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -34.38 76.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.113 -0.992 . . . . 10.0 109.755 179.032 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.56 -20.2 61.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.732 . . . . 10.0 109.908 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.649 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -50.09 -35.86 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 10.0 110.475 179.651 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -77.87 -41.71 35.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.167 -0.958 . . . . 10.0 109.457 179.288 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.71 -47.51 75.14 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.688 -0.632 . . . . 10.0 110.127 179.652 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.419 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -54.24 -37.17 64.34 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.584 -0.697 . . . . 10.0 109.871 179.753 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.5 mm -75.56 -34.32 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.318 -0.864 . . . . 10.0 110.023 178.925 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -59.25 -44.58 92.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.573 -0.704 . . . . 10.0 110.639 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -46.34 90.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.4 -0.813 . . . . 10.0 109.666 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.6 t -68.88 -31.05 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.577 -0.702 . . . . 10.0 109.998 179.311 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -37.48 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -0.844 . . . . 10.0 110.112 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -42.43 98.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.459 -0.776 . . . . 10.0 109.826 179.321 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.1 -40.03 92.18 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.547 -0.721 . . . . 10.0 109.184 178.747 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -67.43 -34.73 77.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.622 -0.674 . . . . 10.0 109.958 179.015 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -63.99 -42.89 97.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.378 -0.826 . . . . 10.0 109.391 179.042 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 m -59.17 -42.4 90.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.482 -0.761 . . . . 10.0 109.344 178.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.574 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 32.4 t90 -65.84 -43.6 88.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.607 -0.683 . . . . 10.0 109.443 178.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.574 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.64 -32.62 74.29 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.601 -0.687 . . . . 10.0 110.381 179.553 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -67.49 -31.66 71.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.428 -0.795 . . . . 10.0 110.244 179.599 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.82 78.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.349 -0.844 . . . . 10.0 109.793 179.471 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.02 -23.93 30.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.593 -0.692 . . . . 10.0 109.973 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.99 100.85 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.361 0.6 . . . . 10.0 110.327 -179.548 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.491 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 6.5 ttp -53.48 -49.45 88.42 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.542 -0.724 . . . . 10.0 110.821 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 50.0 Cg_endo -75.37 59.47 5.44 Favored 'Trans proline' 0 N--CA 1.489 1.215 0 O-C-N 123.552 1.29 . . . . 10.0 110.154 179.49 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 7.3 tt0 -164.61 141.49 6.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.506 -0.746 . . . . 10.0 109.657 -179.62 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.504 2.273 0 CA-C-O 117.694 -1.146 . . . . 10.0 110.727 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 120.9 0.381 . . . . 10.0 110.438 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.73 -95.17 0.48 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.683 -1.367 . . . . 10.0 109.683 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -162.97 -54.68 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.412 -1.052 . . . . 10.0 111.439 -179.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.63 -145.58 0.18 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.148 -0.97 . . . . 10.0 110.955 -179.126 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -50.28 -24.6 3.02 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.324 -0.86 . . . . 10.0 111.745 -179.66 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -43.11 81.01 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.238 -0.914 . . . . 10.0 110.61 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.82 -20.11 13.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.356 -0.84 . . . . 10.0 110.97 179.84 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -64.73 -32.73 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.072 -1.017 . . . . 10.0 110.128 179.912 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -75.04 -32.06 61.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.962 -1.086 . . . . 10.0 109.384 178.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.91 -47.18 66.45 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.559 -0.713 . . . . 10.0 109.657 179.053 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.418 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -58.06 -36.36 72.67 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.505 -0.747 . . . . 10.0 109.399 179.365 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 6.2 mm -68.45 -37.94 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.347 -0.846 . . . . 10.0 109.683 178.923 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.34 -33.17 75.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.484 -0.76 . . . . 10.0 110.345 179.541 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.57 -49.06 51.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.421 -0.799 . . . . 10.0 110.28 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.87 -29.28 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.48 -0.762 . . . . 10.0 111.101 -179.851 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -78.22 -38.22 43.56 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.978 -1.076 . . . . 10.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -65.08 -44.33 89.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.252 -0.905 . . . . 10.0 110.252 179.787 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -36.83 80.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.399 -0.813 . . . . 10.0 109.39 179.007 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.06 -37.86 66.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.691 -0.631 . . . . 10.0 109.848 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -60.36 -45.94 91.72 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.595 -0.691 . . . . 10.0 110.024 179.52 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -62.39 -41.55 98.74 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 10.0 109.755 179.222 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -60.43 -41.43 93.97 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.579 -0.7 . . . . 10.0 109.877 179.295 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -61.96 -47.46 84.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.595 -0.691 . . . . 10.0 110.027 179.613 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -46.93 80.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.607 -0.683 . . . . 10.0 109.849 179.531 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.3 72.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.61 -0.681 . . . . 10.0 110.418 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -71.8 -34.93 69.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.397 -0.815 . . . . 10.0 110.329 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -63.23 1.24 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.551 -0.718 . . . . 10.0 110.155 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 tpt 57.19 88.38 0.12 Allowed Pre-proline 0 N--CA 1.502 2.126 0 O-C-N 121.773 -0.579 . . . . 10.0 110.838 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.0 -172.16 0.93 Allowed 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.69 1.363 . . . . 10.0 110.584 179.783 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -62.3 120.8 11.69 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.39 -0.819 . . . . 10.0 110.147 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.915 -1.04 . . . . 10.0 110.35 -179.761 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 120.943 0.401 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.97 -148.35 24.05 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.648 -1.381 . . . . 10.0 109.648 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 p -104.55 -59.64 1.71 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.436 -1.038 . . . . 10.0 110.264 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.488 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 1.7 m95 65.04 151.54 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 CA-C-O 121.302 0.573 . . . . 10.0 111.075 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 28.1 mt 67.66 -60.28 0.39 Allowed 'General case' 0 N--CA 1.508 2.457 0 O-C-N 121.865 -0.522 . . . . 10.0 111.509 179.653 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -60.6 -22.59 63.91 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.064 -1.022 . . . . 10.0 110.605 179.775 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -107.2 -11.54 15.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.238 -0.914 . . . . 10.0 110.243 178.925 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.443 HG23 ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -99.19 -25.0 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 10.0 110.261 179.63 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -75.37 -20.66 58.84 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.124 -0.985 . . . . 10.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 1.1 t70 -83.68 -43.71 15.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.347 -0.846 . . . . 10.0 109.155 179.261 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' NE1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.56 -32.67 71.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.683 -0.636 . . . . 10.0 109.539 179.184 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.447 HG12 ' NE1' ' A' ' 11' ' ' TRP . 6.3 mm -75.8 -44.05 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.312 -0.868 . . . . 10.0 109.806 178.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.94 -38.06 84.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.588 -0.695 . . . . 10.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.33 -55.26 33.7 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.377 -0.827 . . . . 10.0 110.177 179.746 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.0 t -65.85 -32.83 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.484 -0.76 . . . . 10.0 110.029 179.54 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -64.61 -41.25 96.33 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.487 -0.758 . . . . 10.0 110.236 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 t -63.05 -42.34 99.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.306 -0.871 . . . . 10.0 109.551 179.362 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -41.93 88.11 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.705 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -70.81 -38.04 73.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.659 -0.651 . . . . 10.0 109.442 178.622 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.59 95.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.668 -0.645 . . . . 10.0 109.888 179.362 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -62.41 -45.51 92.79 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 10.0 109.506 179.146 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.526 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 20.3 t90 -64.42 -43.38 94.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.584 -0.697 . . . . 10.0 109.67 179.177 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.82 -39.31 80.83 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.522 -0.736 . . . . 10.0 110.351 179.805 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -42.29 91.3 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.104 179.663 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.04 82.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.511 -0.743 . . . . 10.0 110.315 179.526 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -74.43 -36.54 63.41 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.442 -0.786 . . . . 10.0 110.524 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -35.77 77.25 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.506 -0.747 . . . . 10.0 110.633 -179.931 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.29 110.95 47.99 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.448 -0.783 . . . . 10.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.56 178.26 6.94 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.661 1.348 . . . . 10.0 110.819 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.75 71.11 3.3 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.383 -0.823 . . . . 10.0 110.449 179.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 117.955 -1.021 . . . . 10.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.025 0.441 . . . . 10.0 110.448 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.91 111.34 3.85 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.522 -1.431 . . . . 10.0 109.522 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 p -102.16 13.69 34.01 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.614 -0.933 . . . . 10.0 111.009 179.784 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -137.13 0.11 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.268 -0.895 . . . . 10.0 109.801 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.85 -23.34 12.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.996 -1.065 . . . . 10.0 111.313 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -28.6 65.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.138 -0.976 . . . . 10.0 110.321 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -101.73 -19.85 15.2 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.488 -0.758 . . . . 10.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.0 tt -62.07 -27.41 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.063 -1.023 . . . . 10.0 111.222 -179.587 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -34.09 64.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.268 -0.895 . . . . 10.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.32 -36.86 64.21 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.52 -0.737 . . . . 10.0 110.248 179.513 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -61.28 -47.75 84.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.575 -0.703 . . . . 10.0 109.769 179.324 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.43 -32.4 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.259 -0.901 . . . . 10.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 t -62.15 -39.96 94.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.34 -0.85 . . . . 10.0 110.285 179.913 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.24 -51.66 59.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.536 -0.727 . . . . 10.0 110.467 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.16 -28.26 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.296 -0.878 . . . . 10.0 110.443 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.35 -44.57 71.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.201 -0.937 . . . . 10.0 110.13 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 p -64.87 -35.8 82.31 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 10.0 109.51 179.287 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.01 -38.56 91.69 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.589 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -65.18 -35.17 80.24 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.73 -0.606 . . . . 10.0 109.635 178.87 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.2 -48.55 67.54 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.479 -0.763 . . . . 10.0 109.394 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -66.02 -40.01 90.7 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.543 -0.723 . . . . 10.0 109.767 179.099 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.536 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 26.1 t90 -59.38 -41.24 88.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.624 -0.673 . . . . 10.0 109.899 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.536 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.95 -45.2 82.67 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.533 -0.73 . . . . 10.0 110.345 179.782 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -70.29 -36.94 74.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.455 -0.778 . . . . 10.0 110.246 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.492 -0.755 . . . . 10.0 110.257 179.534 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -16.44 24.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.252 -0.905 . . . . 10.0 110.556 179.409 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 28' ' ' MET . 0.3 OUTLIER 56.53 50.02 13.7 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.489 -0.757 . . . . 10.0 110.167 -179.674 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 26.46 74.2 0.34 Allowed Pre-proline 0 N--CA 1.512 2.631 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -179.913 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -77.65 61.58 7.53 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 O-C-N 123.672 1.354 . . . . 10.0 111.093 -179.848 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -157.65 36.24 0.27 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.214 -0.929 . . . . 10.0 110.699 179.748 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.942 -1.027 . . . . 10.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 1.1 mp . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 121.412 0.625 . . . . 10.0 109.905 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 53.2 ttp180 -56.44 -49.47 74.49 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.237 -0.915 . . . . 10.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -27.52 68.55 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.415 -0.803 . . . . 10.0 110.719 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.716 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -56.37 -31.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.388 -0.82 . . . . 10.0 110.812 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.474 ' CD1' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -68.21 -12.49 61.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.229 -0.919 . . . . 10.0 111.162 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 15.1 t70 -79.01 -34.96 43.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 10.0 108.804 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.549 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.96 -30.31 67.81 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.632 -0.668 . . . . 10.0 109.644 178.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.549 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.4 mm -97.44 -39.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.136 -0.978 . . . . 10.0 110.175 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.96 -39.79 72.35 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.323 -0.861 . . . . 10.0 111.2 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -39.21 84.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.271 -0.893 . . . . 10.0 110.744 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.1 t -77.4 -29.37 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.355 -0.841 . . . . 10.0 110.787 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 2.9 39.31 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.214 -0.929 . . . . 10.0 111.406 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -49.91 56.75 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 10.0 110.379 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.448 -0.783 . . . . 10.0 109.457 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -64.81 -34.15 77.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.616 -0.677 . . . . 10.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -70.81 -49.11 49.92 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.383 -0.823 . . . . 10.0 110.067 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -56.22 -42.09 76.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.526 -0.734 . . . . 10.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.555 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 67.1 t90 -62.6 -43.82 97.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.556 -0.715 . . . . 10.0 109.918 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -70.93 -38.98 72.91 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.443 -0.786 . . . . 10.0 110.459 179.699 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -60.39 -33.35 72.35 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.463 -0.773 . . . . 10.0 110.192 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.11 -39.09 50.78 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 10.0 110.094 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.65 -33.93 69.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 10.0 110.419 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.496 1.865 0 O-C-N 121.43 -0.794 . . . . 10.0 110.929 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.5 pp . . . . . 0 N--CA 1.5 2.039 0 CA-C-O 120.786 0.327 . . . . 10.0 110.805 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -82.11 -16.0 51.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 10.0 109.859 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -100.03 -30.27 12.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.556 -0.715 . . . . 10.0 110.212 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.669 ' O ' HD12 ' A' ' 12' ' ' ILE . 13.0 tt -61.55 -29.82 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.223 -0.923 . . . . 10.0 110.59 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -62.34 -41.28 98.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.123 -0.986 . . . . 10.0 109.804 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.59 -39.3 76.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.552 -0.718 . . . . 10.0 109.603 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 1.4 t90 -57.61 -54.31 48.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.717 -0.614 . . . . 10.0 109.544 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.7 mp -69.72 -35.21 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.181 -0.949 . . . . 10.0 110.141 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.44 -33.25 67.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.48 -0.763 . . . . 10.0 110.169 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.05 -45.88 17.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.72 . . . . 10.0 110.084 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.07 -34.54 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.614 -0.679 . . . . 10.0 110.806 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -9.25 59.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.195 -0.941 . . . . 10.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.5 t -82.95 -60.22 2.23 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.101 -1.0 . . . . 10.0 110.29 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.97 -31.9 67.34 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.304 -0.873 . . . . 10.0 109.539 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -65.82 -39.57 91.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.595 -0.691 . . . . 10.0 109.531 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -62.58 -35.16 78.63 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.744 . . . . 10.0 109.578 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -69.46 -39.89 77.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.593 -0.692 . . . . 10.0 109.648 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.592 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 52.4 t90 -59.81 -47.01 87.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.631 -0.668 . . . . 10.0 110.067 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -68.74 -43.63 75.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.493 -0.755 . . . . 10.0 110.318 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -63.43 -41.93 98.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.517 -0.739 . . . . 10.0 109.923 179.558 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.93 75.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.436 -0.79 . . . . 10.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -75.83 -21.55 57.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.542 -0.724 . . . . 10.0 110.659 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 O-C-N 121.539 -0.726 . . . . 10.0 110.249 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.441 ' HA ' HG22 ' A' ' 8' ' ' ILE . 2.3 mp . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 120.955 0.407 . . . . 10.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -25.45 65.48 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.224 -0.923 . . . . 10.0 110.703 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.57 -35.12 10.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.353 -0.842 . . . . 10.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.565 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 2.6 tp -63.77 -27.48 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.194 -0.941 . . . . 10.0 110.935 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.411 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 52.3 m0 -66.66 -41.49 88.12 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.077 -1.014 . . . . 10.0 109.822 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.78 -48.22 77.81 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.643 -0.661 . . . . 10.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.565 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.05 -37.99 81.46 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.539 -0.726 . . . . 10.0 109.814 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.4 mm -66.59 -37.76 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.3 -0.875 . . . . 10.0 109.817 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.62 -31.73 72.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.458 -0.776 . . . . 10.0 109.884 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -71.95 -46.91 55.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.463 -0.773 . . . . 10.0 110.309 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.1 p -73.71 -24.63 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.343 -0.848 . . . . 10.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 16' ' ' LEU . 3.5 tm? -83.02 -41.16 19.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.232 -0.917 . . . . 10.0 110.454 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 p -61.06 -48.93 79.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.326 -0.859 . . . . 10.0 110.649 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -37.84 72.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.506 -0.746 . . . . 10.0 109.646 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.32 -37.65 74.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.689 -0.632 . . . . 10.0 110.167 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.437 -0.789 . . . . 10.0 110.13 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -60.27 -42.64 95.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 10.0 109.685 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.581 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.6 t90 -68.97 -41.16 78.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.612 -0.68 . . . . 10.0 109.658 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -67.79 -41.04 83.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.458 -0.776 . . . . 10.0 110.701 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.82 -46.09 90.33 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.398 -0.814 . . . . 10.0 110.199 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.91 73.08 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.609 -0.682 . . . . 10.0 110.376 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -30.83 62.96 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.321 -0.862 . . . . 10.0 110.409 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.944 0 O-C-N 121.457 -0.777 . . . . 10.0 110.62 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.2 mt . . . . . 0 N--CA 1.505 2.311 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -22.96 63.56 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.227 -0.921 . . . . 10.0 109.228 178.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -99.23 -17.07 18.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.759 -0.588 . . . . 10.0 110.382 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 5' ' ' LEU . 8.3 tt -89.27 -26.39 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.14 -0.975 . . . . 10.0 111.041 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -68.14 -41.46 81.61 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.269 -0.895 . . . . 10.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.01 -40.46 70.16 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.574 -0.704 . . . . 10.0 109.945 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.598 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.68 -52.04 67.05 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 12' ' ' ILE . 30.5 mm -69.16 -27.74 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.582 -0.699 . . . . 10.0 110.568 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.09 -38.49 91.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.275 -0.891 . . . . 10.0 110.172 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -44.38 62.01 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.374 -0.829 . . . . 10.0 109.697 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.96 -33.66 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.563 -0.711 . . . . 10.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.92 -27.61 62.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.291 -0.88 . . . . 10.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.21 -53.69 52.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.296 -0.877 . . . . 10.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -40.81 78.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.262 -0.899 . . . . 10.0 109.622 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.471 ' O ' HD12 ' A' ' 23' ' ' LEU . 29.7 t80 -68.5 -19.75 64.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.566 -0.709 . . . . 10.0 110.517 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 7.79 37.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.204 -0.935 . . . . 10.0 110.227 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.9 -41.65 6.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.908 . . . . 10.0 110.097 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.48 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.1 p-90 -64.76 -26.66 68.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.334 -0.854 . . . . 10.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -65.93 -38.41 88.6 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.244 -0.91 . . . . 10.0 109.783 178.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.16 -32.65 74.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.611 -0.68 . . . . 10.0 109.919 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.25 72.97 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.37 -0.831 . . . . 10.0 109.764 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -29.89 19.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.485 -0.759 . . . . 10.0 109.844 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 O-C-N 121.299 -0.876 . . . . 10.0 110.854 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.515 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.6 pp . . . . . 0 N--CA 1.51 2.538 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -103.25 -50.4 3.48 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.192 -0.943 . . . . 10.0 109.45 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -101.38 -13.22 18.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 10.0 110.633 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.515 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 16.3 tt -59.7 -31.48 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.212 -0.93 . . . . 10.0 110.189 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.93 -38.5 37.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.503 -0.748 . . . . 10.0 109.513 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.52 -37.64 88.09 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.657 -0.652 . . . . 10.0 110.007 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.462 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.66 -39.92 90.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.491 -0.755 . . . . 10.0 109.436 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.8 mm -83.95 -28.74 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.236 -0.915 . . . . 10.0 110.29 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.95 -40.87 62.75 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.21 -0.931 . . . . 10.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.42 -51.13 60.21 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.301 -0.874 . . . . 10.0 110.621 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.65 -32.77 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.419 -0.801 . . . . 10.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.87 -46.53 12.91 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.169 -0.957 . . . . 10.0 109.389 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -59.66 -39.67 85.17 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.61 -0.682 . . . . 10.0 109.823 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.92 -41.66 96.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.51 -35.92 68.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.815 -0.553 . . . . 10.0 109.612 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.66 -44.48 77.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.708 . . . . 10.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.0 m -62.5 -42.34 99.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.374 -0.829 . . . . 10.0 109.902 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -70.07 -41.46 74.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.43 -0.794 . . . . 10.0 110.13 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.1 tp -71.87 -41.79 67.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.78 . . . . 10.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -28.74 70.08 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.303 -0.873 . . . . 10.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.76 91.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.29 -0.881 . . . . 10.0 110.344 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -94.88 -39.29 10.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 10.0 110.249 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 27' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.496 1.831 0 O-C-N 121.415 -0.803 . . . . 10.0 110.131 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.642 HD23 ' CZ2' ' A' ' 9' ' ' TRP . 5.1 mp . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 120.625 0.25 . . . . 10.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -55.58 -35.37 65.71 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.54 -0.725 . . . . 10.0 109.948 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -102.79 -34.96 8.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.782 -0.574 . . . . 10.0 109.916 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.39 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.492 -0.755 . . . . 10.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.642 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 28.4 m0 -67.92 -40.42 83.38 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.265 -0.897 . . . . 10.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -37.01 84.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.697 -0.627 . . . . 10.0 110.137 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -41.91 89.55 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.348 -0.845 . . . . 10.0 109.466 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.1 mm -74.33 -36.41 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.3 -0.875 . . . . 10.0 109.968 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.42 -39.46 71.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.338 -0.851 . . . . 10.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.27 -48.97 47.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 10.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.95 -32.73 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.195 -0.941 . . . . 10.0 110.726 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.58 -42.31 18.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.123 -0.986 . . . . 10.0 109.653 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 t -62.0 -43.71 98.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 10.0 110.001 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.61 -40.12 90.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.271 -0.893 . . . . 10.0 109.602 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -67.87 -37.3 81.64 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.519 -0.738 . . . . 10.0 110.224 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -78.24 -37.57 44.91 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.48 -0.763 . . . . 10.0 110.217 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -60.76 -43.42 98.03 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.747 . . . . 10.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.846 ' HE3' HD22 ' A' ' 23' ' ' LEU . 66.7 t90 -65.1 -49.83 68.46 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.404 -0.81 . . . . 10.0 110.01 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.846 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -61.07 -40.78 94.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.366 -0.834 . . . . 10.0 110.351 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -72.0 -36.23 69.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 10.0 110.02 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.69 76.34 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 10.0 109.947 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -7.76 51.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.414 -0.804 . . . . 10.0 110.796 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 O-C-N 121.4 -0.812 . . . . 10.0 110.546 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.598 ' HA ' HG22 ' A' ' 8' ' ' ILE . 5.3 mp . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 120.939 0.399 . . . . 10.0 110.535 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.18 -25.55 65.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.338 -0.851 . . . . 10.0 110.841 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.97 -29.31 9.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.324 -0.86 . . . . 10.0 110.678 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.598 HG22 ' HA ' ' A' ' 5' ' ' LEU . 9.8 tt -61.45 -36.41 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.161 -0.962 . . . . 10.0 110.442 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.427 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 23.5 m0 -66.18 -37.16 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.312 -0.868 . . . . 10.0 109.233 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.13 -35.57 73.71 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 10.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.03 -49.25 75.36 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.608 -0.682 . . . . 10.0 109.298 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 8' ' ' ILE . 4.0 mt -72.29 -36.79 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.368 -0.832 . . . . 10.0 109.786 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 t -57.54 -42.87 83.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.642 -0.661 . . . . 10.0 110.511 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -58.16 -40.64 81.92 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.509 -0.744 . . . . 10.0 110.105 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.52 -23.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 10.0 110.3 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD13 HG22 ' A' ' 12' ' ' ILE . 1.3 tp -70.64 -22.13 62.55 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.268 -0.895 . . . . 10.0 111.152 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -58.26 8.93 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.126 -0.984 . . . . 10.0 110.622 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.524 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 m-20 -62.29 -31.43 72.03 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.232 -0.918 . . . . 10.0 109.774 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -70.86 -36.28 72.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 109.482 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -33.85 27.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.492 -0.755 . . . . 10.0 110.327 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -61.4 -34.75 75.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.314 -0.866 . . . . 10.0 110.165 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.588 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 47.0 t90 -74.14 -43.68 56.53 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.445 -0.784 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.588 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -68.55 -36.2 78.46 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.511 -0.743 . . . . 10.0 110.227 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -41.91 98.94 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.462 -0.774 . . . . 10.0 109.892 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.21 67.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.567 -0.708 . . . . 10.0 110.306 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -32.85 21.98 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.359 -0.838 . . . . 10.0 110.258 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.498 1.925 0 O-C-N 121.526 -0.734 . . . . 10.0 110.754 179.69 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.646 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 120.597 0.237 . . . . 10.0 111.444 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -80.05 -44.11 20.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.004 -1.06 . . . . 10.0 109.687 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.5 -34.13 21.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.57 -0.706 . . . . 10.0 110.707 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 5' ' ' LEU . 8.1 tt -64.55 -28.56 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.251 -0.906 . . . . 10.0 110.841 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -68.53 -45.42 72.28 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.183 -0.948 . . . . 10.0 109.901 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.64 -39.97 92.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.423 -0.798 . . . . 10.0 109.919 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -55.56 -35.94 66.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.73 179.482 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.508 HG12 ' CD1' ' A' ' 11' ' ' TRP . 5.6 mm -89.56 -38.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.244 -0.91 . . . . 10.0 110.231 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 t -65.75 -42.97 90.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.407 -0.808 . . . . 10.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.54 -52.97 62.93 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.447 -0.783 . . . . 10.0 110.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.22 -35.02 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.526 -0.734 . . . . 10.0 110.177 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.1 -22.94 51.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 10.0 110.148 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -50.61 59.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.364 -0.835 . . . . 10.0 109.835 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.94 -41.02 86.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.395 -0.816 . . . . 10.0 108.953 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.01 -38.08 81.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.661 -0.649 . . . . 10.0 109.475 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -64.67 -39.42 93.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.524 -0.735 . . . . 10.0 109.595 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -58.93 -44.06 91.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.507 -0.746 . . . . 10.0 109.512 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.827 ' HE3' HD22 ' A' ' 23' ' ' LEU . 71.4 t90 -70.71 -42.65 70.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.653 -0.654 . . . . 10.0 109.675 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.827 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -62.48 -40.92 98.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.584 -0.698 . . . . 10.0 110.451 179.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -62.64 -43.15 99.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.417 -0.802 . . . . 10.0 110.342 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.35 -37.51 71.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.461 -0.775 . . . . 10.0 110.438 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.25 -34.92 66.11 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 10.0 110.592 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.913 0 O-C-N 121.344 -0.847 . . . . 10.0 110.774 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 120.738 0.304 . . . . 10.0 110.536 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.15 -49.72 76.77 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.942 . . . . 10.0 110.036 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -33.56 74.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.776 . . . . 10.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.543 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 1.4 tt -79.52 -8.82 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.119 -0.988 . . . . 10.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -43.98 8.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.984 -1.072 . . . . 10.0 109.78 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.3 -40.34 95.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.415 -0.803 . . . . 10.0 109.82 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.543 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.44 -33.4 72.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.546 -0.721 . . . . 10.0 109.683 179.432 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.457 HG12 ' NE1' ' A' ' 11' ' ' TRP . 4.6 mm -78.37 -30.79 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.34 -0.85 . . . . 10.0 110.263 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.71 -43.64 65.58 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.294 -0.879 . . . . 10.0 110.669 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -41.87 92.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 10.0 110.153 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -78.5 -24.98 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.861 . . . . 10.0 110.168 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -43.9 97.96 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.235 -0.915 . . . . 10.0 110.289 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.6 p -63.93 -40.53 96.66 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.291 -0.881 . . . . 10.0 109.383 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.15 -39.28 89.5 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -69.11 -37.73 78.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.75 -0.594 . . . . 10.0 109.988 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -61.21 -44.34 97.44 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.364 -0.835 . . . . 10.0 109.884 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.1 m -61.65 -36.94 82.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.532 -0.73 . . . . 10.0 109.686 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.544 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.9 t90 -68.78 -39.45 80.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.625 -0.672 . . . . 10.0 109.733 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.2 -28.7 69.92 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.58 -0.7 . . . . 10.0 110.237 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -84.02 -41.36 17.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.447 -0.783 . . . . 10.0 109.72 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.64 82.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.582 -0.699 . . . . 10.0 109.849 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -17.93 34.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.47 -0.769 . . . . 10.0 110.285 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.041 0 O-C-N 121.735 -0.603 . . . . 10.0 110.308 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.502 2.169 0 CA-C-O 120.395 0.14 . . . . 10.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -38.48 64.79 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.091 -1.006 . . . . 10.0 110.221 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.6 -19.2 58.1 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 10.0 110.626 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt -93.84 -28.45 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.242 -0.911 . . . . 10.0 109.652 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -64.43 -46.75 81.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.557 -0.715 . . . . 10.0 110.486 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.32 -39.14 92.07 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.33 -0.856 . . . . 10.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.39 -29.69 66.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.766 . . . . 10.0 110.199 179.579 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.1 mm -99.06 -34.39 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.135 -0.978 . . . . 10.0 110.55 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 t -77.6 -40.38 42.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.324 -0.86 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.74 -35.0 79.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.18 -0.95 . . . . 10.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.26 -28.72 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.316 -0.865 . . . . 10.0 110.357 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.47 -32.16 24.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.275 -0.891 . . . . 10.0 111.043 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -56.83 -47.2 80.87 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.223 -0.923 . . . . 10.0 110.478 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.4 -36.31 79.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.292 -0.88 . . . . 10.0 109.136 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -20.22 63.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.723 -0.611 . . . . 10.0 110.496 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -8.54 49.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.226 -0.921 . . . . 10.0 110.268 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 m -80.24 -50.57 10.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.353 -0.842 . . . . 10.0 110.024 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 26.4 p-90 -68.4 -25.04 64.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.317 -0.864 . . . . 10.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -76.09 -38.98 56.34 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.264 -0.898 . . . . 10.0 109.884 179.097 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -65.45 -41.51 93.34 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.515 -0.741 . . . . 10.0 109.761 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.26 90.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.652 -0.655 . . . . 10.0 110.298 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -70.65 -30.59 67.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.775 . . . . 10.0 110.447 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.496 1.858 0 O-C-N 121.418 -0.801 . . . . 10.0 110.14 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.8 tp . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 120.617 0.246 . . . . 10.0 111.601 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.45 96.57 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.054 -1.029 . . . . 10.0 110.54 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.11 -3.31 29.46 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.25 -0.906 . . . . 10.0 111.297 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.52 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 9.4 tt -71.6 -20.42 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 120.969 -1.082 . . . . 10.0 110.689 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -33.59 75.93 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.265 -0.897 . . . . 10.0 109.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.45 -37.68 62.85 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.623 -0.673 . . . . 10.0 110.065 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.546 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.19 -45.51 87.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.637 -0.665 . . . . 10.0 109.248 178.825 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.16 -26.26 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.402 -0.811 . . . . 10.0 109.987 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -56.75 -43.99 81.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.415 -0.803 . . . . 10.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.81 -39.44 80.07 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.642 -0.661 . . . . 10.0 109.988 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.65 -30.06 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.414 -0.804 . . . . 10.0 110.053 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -43.12 51.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.418 -0.801 . . . . 10.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 p -58.26 -44.02 88.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.351 -0.843 . . . . 10.0 110.406 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.1 -31.97 73.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.391 -0.818 . . . . 10.0 109.594 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -83.12 -7.41 59.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.633 -0.667 . . . . 10.0 110.851 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -113.77 11.48 18.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.029 -1.044 . . . . 10.0 111.311 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -116.26 -55.66 2.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.092 -1.005 . . . . 10.0 109.211 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.549 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 56.1 t90 -73.42 -39.13 65.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.586 -0.696 . . . . 10.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.549 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -74.46 -37.5 63.21 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.587 -0.695 . . . . 10.0 110.693 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 27' ' ' LEU . 16.8 tptt -66.41 -38.1 86.7 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.391 -0.818 . . . . 10.0 110.564 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.26 92.96 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.821 . . . . 10.0 110.399 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -91.38 -14.53 30.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 10.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.929 0 O-C-N 121.444 -0.785 . . . . 10.0 109.916 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.638 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.5 2.047 0 CA-C-O 120.713 0.292 . . . . 10.0 111.279 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -64.57 -23.59 67.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.146 -0.971 . . . . 10.0 110.796 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -107.19 -32.81 7.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.288 -0.882 . . . . 10.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.638 HG22 ' HA ' ' A' ' 5' ' ' LEU . 12.1 tt -60.5 -34.27 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.123 -0.985 . . . . 10.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -69.77 -38.5 76.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.196 -0.94 . . . . 10.0 109.25 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.86 -39.97 96.04 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.681 -0.637 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -40.92 96.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.418 -0.802 . . . . 10.0 109.798 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.9 mm -67.85 -27.83 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.272 -0.892 . . . . 10.0 110.237 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.39 -37.16 52.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.207 -0.933 . . . . 10.0 109.824 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.81 -50.46 66.61 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.572 -0.705 . . . . 10.0 110.117 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.94 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.543 -0.723 . . . . 10.0 110.405 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tp -69.64 -43.74 72.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.243 -0.911 . . . . 10.0 110.002 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -64.63 -37.47 87.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.761 . . . . 10.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -40.55 94.23 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.02 -38.31 88.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.691 -0.63 . . . . 10.0 110.082 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -74.28 -41.62 60.91 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.416 -0.802 . . . . 10.0 110.06 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -65.69 -39.52 91.35 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.527 -0.733 . . . . 10.0 109.833 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.739 ' HE3' HD22 ' A' ' 23' ' ' LEU . 60.4 t90 -63.41 -45.03 92.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.422 -0.799 . . . . 10.0 109.991 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -63.35 -40.73 98.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.461 -0.774 . . . . 10.0 110.247 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -73.72 -31.27 63.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.348 -0.845 . . . . 10.0 110.152 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.04 65.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.521 -0.737 . . . . 10.0 109.558 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 -25.18 35.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.606 -0.684 . . . . 10.0 109.793 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 121.451 0.644 . . . . 10.0 111.052 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.838 0.352 . . . . 10.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.37 7.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.143 -0.973 . . . . 10.0 109.31 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.19 -26.93 62.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 10.0 110.356 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.1 tt -62.03 -33.7 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.269 -0.894 . . . . 10.0 109.818 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -67.63 -38.52 84.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.275 -0.891 . . . . 10.0 108.984 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.81 -0.556 . . . . 10.0 110.136 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.577 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -62.0 -37.33 84.43 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.441 -0.787 . . . . 10.0 109.79 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.1 mm -76.66 -40.59 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.291 -0.881 . . . . 10.0 109.841 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.63 -38.9 89.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.582 -0.699 . . . . 10.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -51.82 65.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.101 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.577 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 75.8 t -62.44 -34.44 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.414 -0.804 . . . . 10.0 109.867 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -43.85 95.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.436 -0.79 . . . . 10.0 109.443 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -62.31 -41.48 98.56 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.433 -0.792 . . . . 10.0 109.052 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.13 -23.58 66.64 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.547 -0.721 . . . . 10.0 110.276 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -97.03 -18.98 19.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.465 -0.772 . . . . 10.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -108.65 7.77 26.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.026 -1.046 . . . . 10.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -102.73 -38.51 7.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 10.0 110.269 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.458 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 41.0 p-90 -65.23 -26.08 67.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.258 -0.901 . . . . 10.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -70.44 -51.32 30.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.102 -0.999 . . . . 10.0 109.952 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -56.81 -24.61 52.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.458 -0.776 . . . . 10.0 110.903 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.17 -36.16 12.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.206 -0.934 . . . . 10.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -98.08 20.32 12.54 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.268 -0.895 . . . . 10.0 111.272 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.143 -0.973 . . . . 10.0 110.045 179.621 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 120.648 0.261 . . . . 10.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 3.8 mpt_? -57.61 -39.59 77.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.359 -0.838 . . . . 10.0 109.864 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.92 -22.43 62.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.663 -0.648 . . . . 10.0 110.572 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.11 -30.68 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.256 -0.903 . . . . 10.0 109.608 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.447 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 53.6 m0 -60.68 -39.03 86.91 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.354 -0.841 . . . . 10.0 110.334 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.21 -47.86 72.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.496 -0.752 . . . . 10.0 110.24 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.605 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -55.51 -34.84 64.99 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.508 -0.745 . . . . 10.0 109.981 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.0 mm -73.31 -40.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 10.0 109.962 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.58 -37.37 86.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.473 -0.767 . . . . 10.0 110.35 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.79 -50.93 71.48 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.508 -0.745 . . . . 10.0 109.812 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.605 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 55.5 t -65.38 -31.92 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.508 -0.745 . . . . 10.0 109.464 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -41.64 83.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.494 -0.754 . . . . 10.0 109.35 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 m -63.86 -41.13 97.86 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.575 -0.703 . . . . 10.0 109.415 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.28 -40.52 90.7 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.63 -38.09 89.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.698 -0.626 . . . . 10.0 109.895 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -62.19 -42.0 98.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.32 -0.863 . . . . 10.0 109.815 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -67.14 -36.53 82.06 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.522 -0.736 . . . . 10.0 109.82 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.508 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 5.9 t90 -67.2 -37.15 83.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.467 -0.771 . . . . 10.0 109.645 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.508 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -57.24 -33.34 67.47 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.597 -0.69 . . . . 10.0 110.179 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.94 -31.84 21.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.35 -0.844 . . . . 10.0 109.641 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.97 65.66 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 10.0 109.356 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -28.19 35.21 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.674 -0.641 . . . . 10.0 109.526 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.14 0 CA-C-O 121.53 0.681 . . . . 10.0 111.011 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.845 HD13 ' HB ' ' A' ' 8' ' ' ILE . 1.6 mm? . . . . . 0 N--CA 1.5 2.032 0 CA-C-O 121.092 0.473 . . . . 10.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -81.0 -55.76 4.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.179 -0.951 . . . . 10.0 109.611 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -103.02 18.06 22.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.451 -0.781 . . . . 10.0 110.004 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.845 ' HB ' HD13 ' A' ' 5' ' ' LEU . 2.4 mt -107.26 -38.22 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.274 -0.892 . . . . 10.0 109.81 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.536 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -58.95 -41.4 87.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.487 -0.758 . . . . 10.0 110.199 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -47.61 77.59 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.561 -0.712 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -61.8 -33.74 74.67 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.561 -0.712 . . . . 10.0 109.722 179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.3 mm -79.88 -34.64 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.286 -0.884 . . . . 10.0 109.77 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.3 t -59.59 -45.46 91.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.563 -0.711 . . . . 10.0 110.535 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.83 -48.01 80.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 10.0 109.809 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.588 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 70.2 t -62.75 -36.95 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.609 -0.682 . . . . 10.0 109.818 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -37.34 86.93 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.561 -0.712 . . . . 10.0 109.976 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -43.62 97.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.519 -0.738 . . . . 10.0 109.518 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.45 -39.6 91.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.627 -0.671 . . . . 10.0 109.245 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.79 -33.89 77.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.67 -0.644 . . . . 10.0 110.134 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -66.25 -46.81 75.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.36 -0.837 . . . . 10.0 109.64 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -63.47 -40.58 97.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 10.0 109.79 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.552 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 24.5 t90 -62.76 -43.36 99.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.664 -0.648 . . . . 10.0 109.925 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.552 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -60.52 -40.99 93.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.52 -0.738 . . . . 10.0 110.226 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -40.32 96.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 10.0 109.905 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.61 83.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 10.0 110.174 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -60.61 -34.44 74.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.553 -0.717 . . . . 10.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.629 -0.67 . . . . 10.0 110.175 179.736 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.509 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.5 2.03 0 CA-C-O 120.965 0.412 . . . . 10.0 110.392 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -34.84 72.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.459 -0.776 . . . . 10.0 110.279 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -30.01 11.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.563 -0.711 . . . . 10.0 110.425 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.509 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.98 -30.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.375 -0.828 . . . . 10.0 110.309 179.758 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -65.78 -37.85 87.43 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.202 -0.936 . . . . 10.0 109.404 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.65 -44.52 96.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.48 -0.763 . . . . 10.0 109.926 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -36.53 84.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.475 -0.765 . . . . 10.0 109.681 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.9 mm -75.98 -40.17 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.234 -0.916 . . . . 10.0 109.853 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 t -62.34 -32.55 73.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.43 -0.794 . . . . 10.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -50.95 70.38 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.303 -0.873 . . . . 10.0 109.911 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.47 -24.06 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.476 -0.765 . . . . 10.0 110.392 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.4 -24.9 34.18 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.205 -0.934 . . . . 10.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -56.12 17.43 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.169 -0.957 . . . . 10.0 110.608 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 21' ' ' THR . 3.9 p30 -61.39 -27.88 68.85 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.221 -0.925 . . . . 10.0 109.794 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -77.91 -38.11 46.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.413 -0.805 . . . . 10.0 109.619 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -77.88 -37.89 47.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 10.0 110.363 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 18' ' ' ASP . 1.5 t -60.69 -34.98 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.315 -0.866 . . . . 10.0 110.064 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.848 ' HE3' HD22 ' A' ' 23' ' ' LEU . 69.2 t90 -74.63 -44.02 52.55 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.79 . . . . 10.0 109.119 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.848 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.537 -0.727 . . . . 10.0 110.057 179.686 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -65.13 -28.96 69.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.529 -0.732 . . . . 10.0 110.415 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.01 79.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.261 -0.899 . . . . 10.0 109.741 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -11.91 41.39 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.51 -0.744 . . . . 10.0 110.661 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.502 -0.749 . . . . 10.0 110.221 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.772 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 120.715 0.293 . . . . 10.0 110.607 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -65.9 -14.07 60.84 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.22 -0.925 . . . . 10.0 110.915 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.36 -42.6 3.3 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.192 -0.943 . . . . 10.0 109.876 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.772 HG22 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tt -64.04 -26.42 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.658 -0.651 . . . . 10.0 110.999 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -71.02 -23.79 62.23 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.181 -0.949 . . . . 10.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.422 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -78.35 -35.73 47.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.865 . . . . 10.0 109.404 179.248 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.447 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -64.2 -32.57 74.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.692 . . . . 10.0 109.43 178.819 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.2 mm -89.18 -31.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.189 -0.945 . . . . 10.0 110.272 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.82 -43.04 38.06 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.159 -0.963 . . . . 10.0 110.411 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.3 -45.79 91.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.33 -0.856 . . . . 10.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.05 -31.54 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.393 -0.817 . . . . 10.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 -23.0 30.48 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.298 -0.876 . . . . 10.0 110.172 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -62.31 -53.41 55.43 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.191 -0.943 . . . . 10.0 110.055 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -34.51 73.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.419 -0.801 . . . . 10.0 109.278 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.44 -36.46 60.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.694 -0.629 . . . . 10.0 110.453 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -70.82 -42.91 69.63 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.445 -0.785 . . . . 10.0 110.324 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.1 m -57.09 -42.71 81.26 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.739 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.839 ' HE3' HD22 ' A' ' 23' ' ' LEU . 56.1 t90 -70.6 -44.82 66.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.56 -0.713 . . . . 10.0 109.523 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.839 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -62.1 -37.92 86.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.445 -0.784 . . . . 10.0 110.247 179.659 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -77.09 -38.33 52.61 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.438 -0.789 . . . . 10.0 109.974 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.45 87.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.473 -0.767 . . . . 10.0 109.625 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.0 tmtm? -84.43 -22.86 30.22 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.636 -0.665 . . . . 10.0 110.084 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.503 2.182 0 CA-C-O 121.579 0.704 . . . . 10.0 111.065 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.0 mt . . . . . 0 N--CA 1.508 2.429 0 CA-C-O 120.748 0.309 . . . . 10.0 110.633 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.32 -30.93 52.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.415 -0.803 . . . . 10.0 109.995 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.7 -19.71 18.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.558 -0.713 . . . . 10.0 111.11 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 5' ' ' LEU . 3.3 tp -61.32 -29.94 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.082 -1.011 . . . . 10.0 110.582 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -74.89 -37.24 62.17 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.246 -0.908 . . . . 10.0 109.293 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.663 -0.648 . . . . 10.0 109.735 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.44 -38.12 86.03 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.525 -0.734 . . . . 10.0 110.116 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.0 mm -81.09 -39.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.152 -0.967 . . . . 10.0 110.198 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.77 -39.41 91.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 10.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -63.9 -46.75 83.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.277 -0.89 . . . . 10.0 110.165 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.05 -36.94 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.502 -0.749 . . . . 10.0 109.995 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -44.8 79.89 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.426 -0.796 . . . . 10.0 110.378 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -40.31 96.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.381 -0.824 . . . . 10.0 109.763 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.02 -40.92 86.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.606 -0.684 . . . . 10.0 109.224 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.65 -37.86 87.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.674 -0.641 . . . . 10.0 109.877 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -71.93 -42.04 67.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.454 -0.779 . . . . 10.0 109.73 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 m -62.1 -41.34 98.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.61 -0.681 . . . . 10.0 109.617 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.566 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.7 t90 -63.25 -42.94 99.23 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.624 -0.672 . . . . 10.0 109.99 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.68 -38.67 91.99 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.304 -0.873 . . . . 10.0 110.538 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -72.96 -42.38 63.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.408 -0.807 . . . . 10.0 110.356 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.73 63.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.493 -0.754 . . . . 10.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -29.69 63.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.897 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.187 -0.946 . . . . 10.0 110.299 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.454 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 120.909 0.385 . . . . 10.0 110.383 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -34.09 59.25 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.511 -0.743 . . . . 10.0 110.295 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.59 -36.02 11.41 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.67 -0.644 . . . . 10.0 109.669 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.2 -30.73 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.579 -0.701 . . . . 10.0 110.68 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.45 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 41.5 m0 -68.14 -43.44 78.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.198 -0.939 . . . . 10.0 109.961 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.89 -39.84 94.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.56 -0.712 . . . . 10.0 110.204 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.52 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.42 -34.58 69.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.39 -0.819 . . . . 10.0 109.843 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.52 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.9 mm -91.57 -33.41 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.181 -0.95 . . . . 10.0 110.345 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.43 -46.25 64.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 10.0 110.268 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -37.13 75.26 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.389 -0.819 . . . . 10.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 p -86.27 -12.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.848 . . . . 10.0 111.639 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -108.55 -30.05 8.45 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.879 -1.138 . . . . 10.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -60.35 -46.13 91.02 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.109 -0.994 . . . . 10.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.75 -30.79 69.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.329 -0.857 . . . . 10.0 109.869 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.66 -40.48 16.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.57 -0.707 . . . . 10.0 110.452 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -44.07 62.92 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.482 -0.761 . . . . 10.0 110.659 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 m -59.36 -43.62 92.82 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.467 -0.771 . . . . 10.0 110.049 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.819 ' HE3' HD22 ' A' ' 23' ' ' LEU . 77.5 t90 -66.62 -43.55 84.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.407 -0.808 . . . . 10.0 109.808 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.819 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -58.13 -39.71 79.42 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 10.0 110.045 179.569 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -69.39 -33.26 72.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 10.0 110.259 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.02 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.494 -0.754 . . . . 10.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -27.41 21.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 10.0 110.53 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.315 -0.866 . . . . 10.0 110.662 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.973 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 120.738 0.304 . . . . 10.0 111.164 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -60.48 -25.8 66.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 10.0 110.818 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -119.17 -29.99 5.08 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.301 -0.874 . . . . 10.0 110.908 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.973 HG22 ' HA ' ' A' ' 5' ' ' LEU . 5.7 tt -65.75 -24.85 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.163 -0.961 . . . . 10.0 111.126 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -32.69 72.78 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.084 -1.01 . . . . 10.0 109.718 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.08 -37.44 82.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.431 -0.793 . . . . 10.0 109.702 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.553 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -54.96 -45.83 74.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.447 -0.783 . . . . 10.0 109.226 178.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.1 mp -84.75 -39.6 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.264 -0.897 . . . . 10.0 110.584 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 t -66.7 -44.29 82.1 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.399 -0.813 . . . . 10.0 111.114 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.63 -44.24 97.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.395 -0.815 . . . . 10.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.94 -37.44 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.507 -0.746 . . . . 10.0 110.143 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -38.28 89.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.493 -0.754 . . . . 10.0 110.283 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.53 88.22 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.434 -0.791 . . . . 10.0 110.164 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.88 -36.2 83.13 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.433 -0.792 . . . . 10.0 109.699 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.61 -14.83 59.54 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.523 -0.736 . . . . 10.0 110.706 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -30.52 10.81 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.089 -1.007 . . . . 10.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 t -61.26 -38.59 87.26 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.46 -0.775 . . . . 10.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.615 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 9.4 p-90 -76.94 -28.91 55.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 10.0 109.965 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.615 HD22 ' CZ2' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -58.42 -45.01 89.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.482 -0.761 . . . . 10.0 109.555 179.347 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -73.07 -36.16 66.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.562 -0.711 . . . . 10.0 109.737 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.18 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.465 -0.772 . . . . 10.0 109.674 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -86.22 -23.52 26.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.492 -0.755 . . . . 10.0 110.017 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.919 0 O-C-N 121.555 -0.716 . . . . 10.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 120.841 0.353 . . . . 10.0 110.631 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -6.2 56.29 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.227 -0.921 . . . . 10.0 110.4 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -115.48 -37.96 3.88 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.391 -0.818 . . . . 10.0 109.737 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 5' ' ' LEU . 13.9 tt -66.19 -22.45 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.443 -0.785 . . . . 10.0 110.997 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -63.01 -23.33 67.4 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.313 -0.867 . . . . 10.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.58 -36.71 83.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.243 -0.911 . . . . 10.0 109.456 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.56 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.9 -48.15 82.46 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.919 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.6 mp -75.74 -27.31 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.876 . . . . 10.0 110.157 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.1 t -58.23 -45.44 87.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.36 -0.838 . . . . 10.0 110.26 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.76 -45.81 67.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 10.0 109.913 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 50.2 t -62.51 -34.87 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.566 -0.709 . . . . 10.0 110.103 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -32.97 73.98 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.43 -0.794 . . . . 10.0 110.178 179.574 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.498 -0.751 . . . . 10.0 109.731 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 21' ' ' THR . 21.5 m-20 -64.74 -28.32 69.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.523 -0.736 . . . . 10.0 109.809 178.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -87.43 -24.19 24.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.428 -0.795 . . . . 10.0 110.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -93.77 -18.76 21.72 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.336 -0.852 . . . . 10.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 18' ' ' ASP . 13.5 t -55.66 -35.32 65.84 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.239 -0.913 . . . . 10.0 110.084 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.635 ' HE3' HD22 ' A' ' 23' ' ' LEU . 82.4 t90 -70.37 -38.49 74.76 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.448 -0.782 . . . . 10.0 109.563 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.635 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.16 -39.44 78.87 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.525 -0.734 . . . . 10.0 109.597 179.435 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -64.77 -38.86 92.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.498 -0.751 . . . . 10.0 109.544 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -43.57 69.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 10.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.16 65.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 10.0 110.481 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.447 -0.783 . . . . 10.0 110.487 179.822 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.728 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 120.746 0.308 . . . . 10.0 110.983 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -66.44 -36.47 82.87 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.378 -0.826 . . . . 10.0 110.339 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -97.94 -21.44 16.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.823 . . . . 10.0 110.778 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -77.79 6.41 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.037 -1.039 . . . . 10.0 111.082 179.859 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.494 ' O ' HG22 ' A' ' 12' ' ' ILE . 61.6 t90 -109.99 -47.6 3.31 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.076 -1.015 . . . . 10.0 109.036 178.629 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.06 -38.47 90.9 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.454 -0.779 . . . . 10.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CE2' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -62.98 -23.08 67.26 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.527 -0.733 . . . . 10.0 110.171 179.177 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.571 HD13 ' CE2' ' A' ' 11' ' ' TRP . 1.4 tp -93.68 -18.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.394 -0.816 . . . . 10.0 110.691 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.32 -42.88 14.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.158 -0.964 . . . . 10.0 110.354 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.32 -45.47 80.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 10.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.59 -29.78 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.447 -0.783 . . . . 10.0 109.957 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -37.87 89.05 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.497 -0.752 . . . . 10.0 109.766 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -57.27 -49.84 74.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.735 . . . . 10.0 109.909 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.9 -43.69 69.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.667 -0.646 . . . . 10.0 109.593 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -39.78 71.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.642 -0.661 . . . . 10.0 110.046 179.098 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -63.71 -44.9 92.25 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -0.821 . . . . 10.0 109.923 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -58.59 -40.43 83.2 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.541 -0.724 . . . . 10.0 109.812 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.569 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 53.5 t90 -65.32 -42.72 92.67 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.579 -0.7 . . . . 10.0 109.79 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.569 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.98 -44.04 70.25 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.474 -0.766 . . . . 10.0 110.533 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.06 -39.36 93.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 10.0 110.252 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.06 -35.53 80.05 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.512 -0.742 . . . . 10.0 110.371 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -72.49 -31.51 65.44 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.357 -0.839 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 N--CA 1.497 1.901 0 O-C-N 121.416 -0.802 . . . . 10.0 110.228 -179.946 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.505 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 pp . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 121.195 0.521 . . . . 10.0 110.608 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.19 -46.74 10.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.213 -0.93 . . . . 10.0 110.023 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -110.1 17.55 20.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.753 . . . . 10.0 110.823 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mt -107.01 -36.97 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.16 -0.963 . . . . 10.0 109.855 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.472 ' CH2' HD13 ' A' ' 5' ' ' LEU . 23.0 m0 -63.89 -44.68 92.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.551 -0.718 . . . . 10.0 110.318 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.45 -41.4 89.58 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.462 -0.774 . . . . 10.0 110.447 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.09 -31.51 71.19 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.51 -0.744 . . . . 10.0 110.477 179.896 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.664 HG23 HD12 ' A' ' 16' ' ' LEU . 3.8 mm -93.23 -42.76 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.1 -1.0 . . . . 10.0 110.607 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -63.83 -35.31 80.2 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.37 -0.832 . . . . 10.0 111.138 -179.551 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.79 -36.52 76.9 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.983 -1.073 . . . . 10.0 110.635 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.9 t -92.1 -22.71 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.403 -0.811 . . . . 10.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.664 HD12 HG23 ' A' ' 12' ' ' ILE . 4.0 mt -89.72 -43.92 10.36 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.995 -1.065 . . . . 10.0 111.14 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -60.92 -47.66 85.39 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.354 -0.841 . . . . 10.0 110.617 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.15 -40.03 84.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.409 -0.807 . . . . 10.0 109.669 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.97 -34.86 78.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.606 -0.684 . . . . 10.0 110.1 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -44.82 68.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.386 -0.821 . . . . 10.0 109.771 179.475 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.52 -39.6 73.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.506 -0.746 . . . . 10.0 109.798 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.562 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 25.6 t90 -59.78 -41.99 92.33 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.538 -0.726 . . . . 10.0 110.129 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.49 -49.99 69.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 10.0 110.658 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -34.47 77.25 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.436 -0.79 . . . . 10.0 110.749 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -23.6 67.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.44 -0.788 . . . . 10.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 2.1 tppt? -108.41 -36.62 6.19 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.122 -0.986 . . . . 10.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 N--CA 1.497 1.9 0 O-C-N 121.288 -0.883 . . . . 10.0 110.425 -179.829 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.501 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.498 1.934 0 CA-C-O 120.731 0.301 . . . . 10.0 110.827 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -15.07 44.64 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.232 -0.918 . . . . 10.0 110.463 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' HA ' ' OD1' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -122.85 12.39 9.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.419 -0.8 . . . . 10.0 110.382 179.513 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 5' ' ' LEU . 6.2 tt -107.5 -34.15 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.12 -0.987 . . . . 10.0 110.709 179.364 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.407 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -72.62 -43.88 62.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.356 -0.84 . . . . 10.0 109.371 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 p-10 -55.48 -36.78 67.01 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.611 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -65.2 -51.01 63.66 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.52 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.71 -32.07 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.607 -0.683 . . . . 10.0 110.58 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -66.45 -38.24 86.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 10.0 110.199 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.05 -46.27 78.38 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.612 -0.68 . . . . 10.0 109.928 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.81 -29.26 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.654 -0.653 . . . . 10.0 110.257 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -28.84 42.7 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.36 -0.838 . . . . 10.0 110.103 179.39 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -48.7 72.37 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.334 -0.854 . . . . 10.0 110.08 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.506 ' O ' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -66.1 -23.16 66.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.295 -0.878 . . . . 10.0 109.941 179.084 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -38.13 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.418 -0.801 . . . . 10.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -79.98 -32.5 39.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.584 -0.698 . . . . 10.0 110.77 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 18' ' ' ASP . 6.1 t -56.98 -34.7 68.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.27 -0.894 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.562 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.9 t90 -66.86 -41.28 87.59 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.412 -0.805 . . . . 10.0 109.677 179.249 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -66.52 -42.17 87.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.449 -0.782 . . . . 10.0 110.284 179.64 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -41.63 84.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.538 -0.726 . . . . 10.0 110.402 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.48 73.88 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 10.0 110.479 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -43.23 18.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.372 -0.83 . . . . 10.0 110.105 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.508 -0.745 . . . . 10.0 110.316 179.816 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 8' ' ' ILE . 3.6 mm? . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.763 0.316 . . . . 10.0 110.994 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.23 -21.01 66.28 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.135 -0.978 . . . . 10.0 111.092 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -105.75 -19.87 13.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 10.0 111.116 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.701 HG21 HD13 ' A' ' 5' ' ' LEU . 11.7 tt -66.3 -17.63 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.185 -0.947 . . . . 10.0 111.412 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -35.96 82.05 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.028 -1.045 . . . . 10.0 109.642 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.28 -37.1 61.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.677 -0.639 . . . . 10.0 110.137 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.57 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -60.2 -49.62 76.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 10.0 109.27 178.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' HA ' HG12 ' A' ' 15' ' ' VAL . 2.6 mp -77.26 -29.29 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.364 -0.835 . . . . 10.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.6 t -59.39 -39.48 83.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.282 -0.886 . . . . 10.0 110.149 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.27 -56.58 10.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.512 -0.743 . . . . 10.0 110.068 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 12' ' ' ILE . 10.5 p -62.22 -29.17 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.398 -0.814 . . . . 10.0 110.359 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 3.6 tt -62.18 -41.08 97.98 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.232 -0.918 . . . . 10.0 109.401 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -64.39 -37.91 89.18 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.606 -0.684 . . . . 10.0 109.372 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -61.74 -43.98 97.8 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 178.301 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -61.76 -35.52 78.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.678 -0.639 . . . . 10.0 109.506 178.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -38.38 90.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.397 -0.814 . . . . 10.0 109.09 178.622 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -63.49 -40.43 97.07 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.629 ' CE3' HD22 ' A' ' 23' ' ' LEU . 82.7 t90 -66.43 -40.1 89.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 10.0 109.269 178.604 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.629 HD22 ' CE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -56.77 -38.11 72.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.567 -0.708 . . . . 10.0 109.538 179.251 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.8 89.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 10.0 109.139 178.667 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.75 84.58 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -66.93 -32.75 74.2 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.573 -0.704 . . . . 10.0 109.453 178.753 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 27' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.533 -0.729 . . . . 10.0 109.643 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 8' ' ' ILE . 1.2 mp . . . . . 0 N--CA 1.5 2.026 0 CA-C-O 120.782 0.325 . . . . 10.0 111.596 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -35.12 11.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.18 -0.95 . . . . 10.0 109.506 179.017 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.44 -20.05 18.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.702 -0.624 . . . . 10.0 110.138 179.244 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.521 HG21 ' HG ' ' A' ' 5' ' ' LEU . 13.8 tt -61.6 -25.93 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.318 -0.864 . . . . 10.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -57.09 -35.47 69.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.272 -0.892 . . . . 10.0 110.529 -179.682 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.64 -39.23 57.73 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 10.0 110.331 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.544 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -60.18 -53.25 59.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.609 -0.682 . . . . 10.0 109.765 179.387 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.68 -30.52 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.449 -0.782 . . . . 10.0 110.269 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.63 -39.07 79.47 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.416 -0.802 . . . . 10.0 110.026 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -67.56 -48.72 66.11 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 10.0 109.686 179.257 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.84 -35.19 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.603 -0.686 . . . . 10.0 109.74 179.206 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.79 -26.21 66.85 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.49 -0.756 . . . . 10.0 110.078 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.425 -0.797 . . . . 10.0 109.726 179.224 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.83 -42.26 97.39 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.998 -0.742 . . . . 10.0 108.998 178.904 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.35 -35.76 80.04 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.732 -0.605 . . . . 10.0 109.737 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -61.82 -42.34 98.9 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.42 -0.8 . . . . 10.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 m -66.42 -42.69 87.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.604 -0.685 . . . . 10.0 109.692 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -62.43 -42.93 99.81 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.586 -0.696 . . . . 10.0 109.811 179.302 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 23' ' ' LEU . 4.6 tp -71.77 -37.92 70.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.543 -0.723 . . . . 10.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -70.42 -33.85 71.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.284 -0.885 . . . . 10.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.69 85.08 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.461 -0.774 . . . . 10.0 110.212 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -22.64 31.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.457 -0.777 . . . . 10.0 110.489 179.628 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.083 0 O-C-N 121.799 -0.563 . . . . 10.0 110.472 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 CA-C-O 120.797 0.332 . . . . 10.0 110.973 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -28.43 68.21 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.213 -0.929 . . . . 10.0 109.804 179.044 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -100.47 -32.55 10.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.823 -0.548 . . . . 10.0 110.202 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.503 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 1.2 tt -59.63 -37.19 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.487 -0.758 . . . . 10.0 110.487 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -35.37 80.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.969 -1.082 . . . . 10.0 109.301 178.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.49 -41.88 92.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.744 -0.597 . . . . 10.0 109.827 179.06 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.626 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -63.58 -33.84 76.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 10.0 109.789 179.549 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.8 mm -79.97 -14.44 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 10.0 110.684 179.121 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t -94.04 -10.48 33.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.985 -1.072 . . . . 10.0 111.456 -179.792 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -102.25 -55.07 2.55 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.996 -1.065 . . . . 10.0 110.66 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.626 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 80.7 t -57.54 -37.42 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.51 -0.744 . . . . 10.0 110.834 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.37 -42.53 75.06 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.369 -0.832 . . . . 10.0 110.197 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 -40.55 83.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.466 -0.771 . . . . 10.0 109.649 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.84 -38.11 89.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.48 -0.763 . . . . 10.0 109.331 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.81 -39.33 61.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.625 -0.672 . . . . 10.0 110.196 179.302 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -68.39 -48.68 64.06 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.278 -0.889 . . . . 10.0 109.656 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.4 m -61.5 -41.15 96.86 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.587 -0.696 . . . . 10.0 109.83 179.35 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.503 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 12.7 t90 -65.81 -38.79 89.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 10.0 110.254 179.497 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -60.37 -47.98 83.72 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.362 -0.836 . . . . 10.0 110.264 -179.81 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -37.38 78.43 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 10.0 109.877 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.458 -0.776 . . . . 10.0 109.942 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.01 44.93 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.564 -0.71 . . . . 10.0 110.106 179.475 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 27' ' ' LEU . 72.6 mt . . . . . 0 N--CA 1.495 1.789 0 O-C-N 121.344 -0.848 . . . . 10.0 110.039 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.484 ' O ' HG22 ' A' ' 8' ' ' ILE . 4.5 tp . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.625 0.25 . . . . 10.0 111.234 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.4 74.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.968 -1.082 . . . . 10.0 110.079 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -79.55 -38.94 33.01 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.561 -0.712 . . . . 10.0 110.394 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 5' ' ' LEU . 6.5 tt -71.7 -26.69 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.218 -0.927 . . . . 10.0 110.649 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -60.09 -38.07 81.81 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.3 -0.875 . . . . 10.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.76 -39.36 68.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.564 -0.71 . . . . 10.0 110.213 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.545 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.28 -49.89 75.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.62 -0.675 . . . . 10.0 109.507 179.132 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 10.0 110.044 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -57.71 -42.18 83.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.465 -0.772 . . . . 10.0 110.203 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -47.23 82.72 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.477 -0.764 . . . . 10.0 109.691 179.314 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.99 -35.63 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.651 -0.655 . . . . 10.0 109.707 179.229 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.16 -42.43 80.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.503 -0.748 . . . . 10.0 109.777 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 10.0 109.511 179.081 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -41.1 87.88 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.805 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.57 -36.76 79.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.68 -0.638 . . . . 10.0 110.043 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.427 -0.796 . . . . 10.0 109.761 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.0 m -66.0 -39.9 90.69 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.576 -0.703 . . . . 10.0 109.517 179.017 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.592 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 45.7 t90 -65.53 -46.54 79.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.646 -0.659 . . . . 10.0 109.567 179.305 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -66.54 -44.17 83.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.48 -0.762 . . . . 10.0 109.982 179.69 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -60.98 -37.4 82.31 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.509 -0.744 . . . . 10.0 109.923 179.399 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.18 -35.59 61.56 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.527 -0.733 . . . . 10.0 110.233 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -80.53 -6.87 58.85 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.276 -0.89 . . . . 10.0 110.976 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.104 -0.997 . . . . 10.0 110.973 -179.615 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.501 2.082 0 N-CA-C 111.916 0.339 . . . . 10.0 111.916 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 ttm105 -68.03 -19.73 64.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.006 -1.059 . . . . 10.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.85 -30.51 8.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 10.0 111.238 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.52 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -60.58 -34.93 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.102 -0.999 . . . . 10.0 110.536 -179.681 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.446 ' CZ3' HD12 ' A' ' 5' ' ' LEU . 25.0 m0 -79.75 -33.29 40.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.208 -0.932 . . . . 10.0 109.35 178.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.9 -38.36 88.05 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.616 -0.678 . . . . 10.0 110.034 179.17 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.521 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -56.14 -33.97 65.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.509 -0.744 . . . . 10.0 109.992 179.476 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 11' ' ' TRP . 2.6 mm -94.14 -39.16 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.154 -0.966 . . . . 10.0 110.158 179.234 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.18 -43.25 74.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.437 -0.789 . . . . 10.0 110.889 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.28 -46.53 83.29 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.377 -0.827 . . . . 10.0 110.357 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.1 t -58.1 -36.6 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.373 -0.83 . . . . 10.0 110.235 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -40.08 33.85 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -0.774 . . . . 10.0 109.977 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 7.8 t -64.69 -41.02 96.34 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.41 -0.806 . . . . 10.0 110.365 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -30.73 71.34 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.24 -0.912 . . . . 10.0 109.626 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -78.08 -38.63 43.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.493 -0.754 . . . . 10.0 110.411 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -63.55 -28.35 69.88 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.383 -0.823 . . . . 10.0 110.671 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.525 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 83.3 m -82.91 -37.58 24.03 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.233 -0.917 . . . . 10.0 109.376 179.225 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.565 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 19.5 t90 -64.36 -40.96 96.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.561 -0.712 . . . . 10.0 109.559 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.95 -47.44 80.44 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.498 -0.751 . . . . 10.0 110.107 179.694 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -64.69 -45.88 84.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.559 -0.713 . . . . 10.0 109.61 179.34 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.93 94.85 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.655 -0.653 . . . . 10.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -60.63 -36.35 78.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.484 -0.76 . . . . 10.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.763 0 O-C-N 121.638 -0.664 . . . . 10.0 110.018 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.617 ' HA ' HG22 ' A' ' 8' ' ' ILE . 3.5 mm? . . . . . 0 N--CA 1.506 2.368 0 CA-C-O 120.677 0.275 . . . . 10.0 110.666 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -24.57 53.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.178 -0.951 . . . . 10.0 110.017 178.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -101.29 -35.23 9.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.462 -0.774 . . . . 10.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.617 HG22 ' HA ' ' A' ' 5' ' ' LEU . 10.4 tt -63.39 -31.93 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.134 -0.979 . . . . 10.0 110.332 179.728 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.45 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 44.2 m0 -64.62 -37.63 88.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.407 -0.808 . . . . 10.0 109.659 179.531 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.98 -40.32 76.3 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.731 -0.606 . . . . 10.0 109.633 179.066 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.566 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.53 -49.93 74.74 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 179.136 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.4 mt -73.62 -26.81 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.44 -0.788 . . . . 10.0 109.86 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.79 -46.5 81.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.419 -0.8 . . . . 10.0 110.235 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -45.69 65.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 109.885 179.347 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.01 -34.35 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.506 -0.746 . . . . 10.0 110.409 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -85.23 -27.47 26.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.421 -0.799 . . . . 10.0 110.757 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.4 t -59.35 -49.05 79.29 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.335 -0.853 . . . . 10.0 110.665 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -56.34 -39.47 72.89 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.311 -0.868 . . . . 10.0 109.557 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' O ' HD23 ' A' ' 23' ' ' LEU . 31.6 t80 -64.87 -30.81 71.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.612 -0.68 . . . . 10.0 109.842 178.841 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.3 tptp -84.75 -30.12 24.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 10.0 110.237 179.474 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -53.81 -48.75 69.57 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.336 -0.853 . . . . 10.0 109.193 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.658 ' HE3' HD22 ' A' ' 23' ' ' LEU . 80.6 t90 -70.39 -39.19 74.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.491 -0.756 . . . . 10.0 108.982 178.489 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.658 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.9 -35.11 72.49 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.646 -0.659 . . . . 10.0 109.698 179.132 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -68.51 -34.48 75.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.379 -0.826 . . . . 10.0 109.903 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.48 -47.02 77.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.422 -0.799 . . . . 10.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.96 -19.85 53.78 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.359 -0.838 . . . . 10.0 111.231 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.965 0 O-C-N 121.017 -1.052 . . . . 10.0 110.132 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.497 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.075 0 CA-C-O 121.086 0.469 . . . . 10.0 111.303 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -96.14 -40.63 9.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.212 -0.93 . . . . 10.0 109.6 179.045 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.16 -18.97 18.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 10.0 110.34 179.424 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.508 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 15.8 tt -62.4 -28.84 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.265 -0.897 . . . . 10.0 110.741 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -74.53 -41.23 60.98 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.189 -0.944 . . . . 10.0 109.583 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.15 -46.38 87.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.615 -0.678 . . . . 10.0 110.254 179.765 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.508 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -59.64 -36.78 77.06 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.543 -0.723 . . . . 10.0 109.978 179.746 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.1 mm -71.7 -37.78 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.302 -0.874 . . . . 10.0 109.847 179.265 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.98 -35.68 81.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.586 -0.696 . . . . 10.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -42.17 89.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.538 -0.726 . . . . 10.0 109.914 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.1 t -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.5 -0.75 . . . . 10.0 109.681 179.015 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -42.51 96.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.445 -0.785 . . . . 10.0 110.489 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -63.26 -40.12 96.53 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.432 -0.792 . . . . 10.0 109.651 179.476 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -41.07 96.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 10.0 109.185 178.547 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -70.37 -36.85 74.39 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.674 -0.642 . . . . 10.0 109.608 178.788 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -43.88 92.16 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.63 -0.669 . . . . 10.0 109.641 179.225 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.6 m -61.42 -43.62 98.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.566 -0.709 . . . . 10.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.802 ' HE3' HD22 ' A' ' 23' ' ' LEU . 89.1 t90 -66.23 -38.88 88.96 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.623 -0.673 . . . . 10.0 109.784 179.072 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.802 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.36 -37.46 87.12 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.449 -0.782 . . . . 10.0 110.184 179.455 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -41.28 98.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.445 -0.785 . . . . 10.0 109.895 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.6 84.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.584 -0.698 . . . . 10.0 110.033 179.432 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -87.11 -6.21 58.75 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.464 -0.773 . . . . 10.0 110.716 179.45 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.162 0 O-C-N 121.714 -0.616 . . . . 10.0 110.646 -179.806 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.588 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.212 0 CA-C-O 120.601 0.239 . . . . 10.0 110.704 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.98 -28.16 55.87 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.458 -0.776 . . . . 10.0 110.38 179.519 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.48 -31.3 11.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.385 -0.822 . . . . 10.0 110.451 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 5' ' ' LEU . 2.8 tp -68.93 -31.58 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.042 -1.036 . . . . 10.0 110.146 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -79.05 -39.69 33.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.241 -0.912 . . . . 10.0 109.033 178.744 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -41.62 96.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 10.0 110.175 179.418 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.502 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.1 -38.49 91.4 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.561 -0.712 . . . . 10.0 109.887 179.618 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 3.7 mm -68.87 -33.83 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.276 -0.89 . . . . 10.0 109.765 179.031 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -37.01 81.81 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.856 . . . . 10.0 110.087 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.96 -46.8 88.26 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.567 -0.708 . . . . 10.0 109.799 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -76.52 -24.51 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 110.107 179.283 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 1.1 tt -62.41 -46.47 88.42 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.337 -0.852 . . . . 10.0 110.315 179.704 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 p -64.12 -40.77 96.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.424 -0.798 . . . . 10.0 109.761 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -37.05 82.31 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.656 -0.653 . . . . 10.0 109.346 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.48 -38.76 77.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.718 . . . . 10.0 110.076 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.418 -0.801 . . . . 10.0 109.731 179.366 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -59.91 -40.98 90.67 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.622 -0.674 . . . . 10.0 109.79 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.831 ' HE3' HD22 ' A' ' 23' ' ' LEU . 86.9 t90 -62.82 -39.93 95.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 10.0 109.781 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.831 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -61.03 -46.22 91.61 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.509 -0.744 . . . . 10.0 109.777 179.348 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -63.5 -28.7 70.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.532 -0.73 . . . . 10.0 110.403 179.571 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 22' ' ' TRP . . . -57.24 -35.66 69.98 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.237 -0.914 . . . . 10.0 109.929 179.428 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.91 -34.38 9.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.508 -0.745 . . . . 10.0 110.133 179.269 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.496 1.841 0 O-C-N 121.383 -0.823 . . . . 10.0 110.623 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.623 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.508 2.449 0 CA-C-O 120.502 0.191 . . . . 10.0 111.123 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -64.23 -14.31 54.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.998 -1.064 . . . . 10.0 110.399 178.991 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -98.12 -39.33 8.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.384 -0.823 . . . . 10.0 109.871 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 5' ' ' LEU . 12.8 tt -61.28 -27.32 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 10.0 110.672 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.488 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 46.3 m0 -64.75 -46.09 83.65 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.195 -0.94 . . . . 10.0 109.529 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -45.37 78.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.711 -0.618 . . . . 10.0 109.743 179.086 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -61.31 -50.03 74.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.763 -0.585 . . . . 10.0 109.614 179.175 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 12' ' ' ILE . 28.9 mm -78.62 2.1 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.297 -0.877 . . . . 10.0 111.441 -179.479 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -110.25 -46.13 3.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.86 -1.15 . . . . 10.0 109.882 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -44.74 21.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.519 -0.738 . . . . 10.0 110.502 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.39 -28.94 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.257 -0.902 . . . . 10.0 110.082 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -21.77 30.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 10.0 110.452 179.524 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -64.16 -61.93 1.94 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.169 -0.957 . . . . 10.0 110.128 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -56.85 -27.28 60.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.343 -0.848 . . . . 10.0 110.256 179.508 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -79.89 -34.54 39.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.302 -0.874 . . . . 10.0 110.432 179.312 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -85.28 -42.03 15.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.246 -0.909 . . . . 10.0 110.458 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.7 m -55.16 -46.54 75.74 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.476 -0.765 . . . . 10.0 109.963 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.817 ' HE3' HD22 ' A' ' 23' ' ' LEU . 75.6 t90 -65.18 -43.53 91.4 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.507 -0.746 . . . . 10.0 109.68 179.179 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -60.54 -41.46 94.53 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.511 -0.743 . . . . 10.0 110.099 179.547 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -60.15 -41.25 92.34 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.504 -0.747 . . . . 10.0 110.19 179.621 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.37 80.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.746 . . . . 10.0 110.255 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -79.86 -27.11 40.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.386 -0.822 . . . . 10.0 110.771 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.932 0 O-C-N 121.374 -0.829 . . . . 10.0 110.654 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.695 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 pt? . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 120.691 0.282 . . . . 10.0 110.923 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.511 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 1.1 mtt85 -76.05 -2.38 30.43 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.338 -0.851 . . . . 10.0 109.986 178.793 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.56 -39.69 2.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.481 -0.762 . . . . 10.0 109.332 179.332 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.695 HG22 ' HA ' ' A' ' 5' ' ' LEU . 10.0 tt -65.06 -33.28 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.59 -0.694 . . . . 10.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -63.54 -24.29 67.75 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.31 -34.13 77.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.311 178.711 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.569 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -68.75 -48.56 63.44 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.708 -0.62 . . . . 10.0 110.062 179.469 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.407 HG13 ' CD2' ' A' ' 11' ' ' TRP . 3.2 mt -72.81 -48.26 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.333 -0.854 . . . . 10.0 110.394 -179.486 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -58.19 -42.31 85.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.622 -0.674 . . . . 10.0 110.484 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.73 -51.35 68.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.637 -0.665 . . . . 10.0 109.913 179.628 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.88 -32.29 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.475 -0.766 . . . . 10.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -37.67 86.94 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.505 -0.747 . . . . 10.0 110.424 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -60.55 -45.39 94.07 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.451 -0.78 . . . . 10.0 109.74 179.542 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.45 -44.15 97.62 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.543 -0.723 . . . . 10.0 109.116 178.781 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -66.67 -34.1 77.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.781 -0.574 . . . . 10.0 110.404 179.388 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.98 92.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.389 -0.819 . . . . 10.0 110.033 179.823 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -68.07 -41.83 81.35 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.461 -0.774 . . . . 10.0 109.653 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.875 ' HE3' HD22 ' A' ' 23' ' ' LEU . 66.1 t90 -64.4 -44.07 92.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.566 -0.709 . . . . 10.0 110.057 179.506 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.875 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -63.26 -42.5 99.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.453 -0.779 . . . . 10.0 110.2 179.807 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -60.84 -41.37 95.66 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.434 -0.791 . . . . 10.0 110.535 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -23.55 66.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.446 -0.784 . . . . 10.0 110.824 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HD2' ' CH2' ' A' ' 22' ' ' TRP . 4.0 mttp -105.75 -18.14 14.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.323 -0.861 . . . . 10.0 110.853 179.807 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.229 -0.92 . . . . 10.0 110.617 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.693 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.36 0.6 . . . . 10.0 110.564 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -73.46 -37.36 65.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.388 -0.82 . . . . 10.0 109.62 179.102 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.36 -20.15 60.19 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.674 -0.641 . . . . 10.0 110.449 179.263 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.693 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -52.44 -35.71 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.405 -0.809 . . . . 10.0 110.539 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -79.55 -40.39 29.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 10.0 109.196 179.308 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.88 -41.77 97.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.594 -0.691 . . . . 10.0 109.864 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -62.71 -36.79 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.714 . . . . 10.0 109.675 179.395 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.628 ' HA ' HG12 ' A' ' 15' ' ' VAL . 4.2 mm -75.46 -33.48 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.249 -0.907 . . . . 10.0 109.953 179.014 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.84 -19.95 66.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 10.0 110.674 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -99.6 -14.73 18.86 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.37 -0.831 . . . . 10.0 110.96 179.682 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 12' ' ' ILE . 2.6 p -105.06 -0.82 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.102 -0.999 . . . . 10.0 111.34 -179.758 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -107.92 -37.11 6.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.942 -1.099 . . . . 10.0 111.231 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -57.14 -51.72 68.17 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.292 -0.88 . . . . 10.0 110.594 -179.508 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.6 -31.88 66.64 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.375 -0.828 . . . . 10.0 110.088 179.267 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -83.8 -12.19 55.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.516 -0.74 . . . . 10.0 110.873 179.508 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -109.68 3.62 21.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.112 -0.992 . . . . 10.0 110.76 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.7 m -99.16 -39.49 8.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.208 -0.932 . . . . 10.0 110.29 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.477 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.2 p-90 -64.22 -26.04 68.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.227 -0.921 . . . . 10.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.185 -0.947 . . . . 10.0 109.649 178.826 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.0 36.69 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.678 -0.639 . . . . 10.0 109.76 179.339 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.87 92.52 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.418 -0.801 . . . . 10.0 110.163 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -20.52 29.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.439 -0.788 . . . . 10.0 110.375 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.499 1.981 0 O-C-N 121.558 -0.713 . . . . 10.0 110.285 -179.675 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 121.183 0.516 . . . . 10.0 111.257 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -98.06 -40.3 8.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.261 -0.899 . . . . 10.0 109.709 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -19.86 17.99 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.618 -0.676 . . . . 10.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.429 ' O ' HD12 ' A' ' 12' ' ' ILE . 8.2 tt -59.53 -34.04 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.155 -0.966 . . . . 10.0 110.347 179.779 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.6 m0 -67.03 -37.82 84.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.39 -0.819 . . . . 10.0 109.193 179.104 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -57.45 -35.97 70.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.701 -0.624 . . . . 10.0 109.596 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -62.3 -50.19 72.66 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.603 -0.686 . . . . 10.0 109.302 179.115 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.5 mt -71.07 -32.0 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.307 -0.871 . . . . 10.0 109.659 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.0 t -55.68 -42.77 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.493 -0.754 . . . . 10.0 110.17 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.2 -43.9 60.62 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.4 -0.813 . . . . 10.0 109.858 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.76 -34.39 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 10.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.41 -35.48 46.97 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 10.0 110.58 -179.815 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.04 -51.12 65.04 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.214 -0.929 . . . . 10.0 110.555 -179.848 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.21 -40.09 94.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.403 -0.811 . . . . 10.0 109.011 178.747 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HD1' HD23 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -66.92 -32.92 74.49 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.655 -0.653 . . . . 10.0 109.897 178.878 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -65.63 -43.27 90.01 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.482 -0.761 . . . . 10.0 109.47 179.35 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -59.75 -42.14 92.54 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.62 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.752 ' HE3' HD22 ' A' ' 23' ' ' LEU . 73.7 t90 -65.96 -43.05 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 10.0 109.507 178.726 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.752 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -61.89 -40.92 97.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.51 -0.744 . . . . 10.0 110.095 179.533 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.83 85.34 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.605 -0.684 . . . . 10.0 110.099 179.542 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.85 96.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.695 . . . . 10.0 109.561 179.225 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.18 -36.79 72.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 10.0 109.664 178.969 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.562 -0.711 . . . . 10.0 109.694 179.488 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 121.022 0.439 . . . . 10.0 111.181 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -44.74 61.57 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.12 -0.987 . . . . 10.0 110.352 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' A' ' 10' ' ' ASP . 8.1 t70 -94.74 -25.93 16.48 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.465 -0.772 . . . . 10.0 110.654 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.535 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -57.46 -37.46 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.992 -1.068 . . . . 10.0 110.167 179.902 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -82.08 -34.2 29.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 10.0 109.131 179.002 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 7' ' ' ASP . 13.8 t70 -68.38 -46.65 69.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.598 -0.689 . . . . 10.0 109.735 179.091 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -57.47 -37.85 73.56 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.627 -0.671 . . . . 10.0 109.424 179.341 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.4 mm -68.21 -37.64 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.458 -0.776 . . . . 10.0 109.612 179.049 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.15 -39.55 94.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.444 -0.785 . . . . 10.0 110.244 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.3 -49.69 66.19 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.434 -0.791 . . . . 10.0 110.433 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.73 -28.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.415 -0.803 . . . . 10.0 110.972 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.43 -33.33 32.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 10.0 110.49 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -58.46 -46.85 85.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.36 -44.27 97.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.436 -0.79 . . . . 10.0 109.175 178.982 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.71 -29.09 66.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 10.0 110.268 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -47.39 65.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.394 -0.816 . . . . 10.0 110.048 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -60.56 -41.8 95.32 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.47 -0.768 . . . . 10.0 109.832 179.466 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.529 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 65.7 t90 -64.43 -45.4 87.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.569 -0.707 . . . . 10.0 109.896 179.355 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.82 -45.0 68.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.442 -0.786 . . . . 10.0 110.355 179.872 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -38.46 88.12 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.337 -0.852 . . . . 10.0 110.195 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.19 86.56 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.498 -0.751 . . . . 10.0 109.884 179.234 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -79.49 -32.44 42.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.517 -0.739 . . . . 10.0 110.294 179.532 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 27' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 10.0 110.351 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.417 HD23 ' CZ2' ' A' ' 9' ' ' TRP . 6.5 mp . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 120.582 0.23 . . . . 10.0 110.597 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -40.43 66.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.364 -0.835 . . . . 10.0 110.17 179.451 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.56 -28.46 69.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.474 -0.766 . . . . 10.0 110.552 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.06 -31.89 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.35 -0.844 . . . . 10.0 109.48 179.373 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.417 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.21 -41.06 87.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 10.0 110.535 -179.52 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.95 -35.94 82.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.471 -0.768 . . . . 10.0 110.237 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.71 -33.19 69.92 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.443 -0.786 . . . . 10.0 109.811 179.464 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.531 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.6 mm -94.07 -31.34 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.216 -0.928 . . . . 10.0 110.299 179.212 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -74.48 -45.59 45.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.316 -0.865 . . . . 10.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.11 -51.45 69.97 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.518 -0.739 . . . . 10.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.7 -32.22 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.522 -0.736 . . . . 10.0 110.735 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.62 83.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.327 -0.858 . . . . 10.0 109.747 179.298 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -40.92 95.32 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.505 -0.747 . . . . 10.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.12 -37.12 79.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.519 -0.738 . . . . 10.0 109.398 178.719 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -80.83 -10.15 59.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.633 -0.667 . . . . 10.0 111.083 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -109.57 6.16 23.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.043 -1.036 . . . . 10.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -101.97 -40.53 6.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.054 -1.029 . . . . 10.0 110.207 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.43 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 40.2 p-90 -64.05 -26.54 68.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 10.0 111.161 -179.787 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -70.79 -39.11 73.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.114 -0.991 . . . . 10.0 110.075 179.211 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.89 -28.93 62.48 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.564 -0.71 . . . . 10.0 110.527 179.529 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 -33.2 12.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 10.0 110.347 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -28.55 57.52 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.344 -0.847 . . . . 10.0 110.743 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 23' ' ' LEU . 8.2 mp . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 10.0 110.37 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.534 HD13 HG21 ' A' ' 8' ' ' ILE . 2.8 mm? . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 121.076 0.465 . . . . 10.0 110.208 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -19.33 63.12 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.398 -0.814 . . . . 10.0 110.878 179.702 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.58 -33.7 9.81 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.353 -0.842 . . . . 10.0 110.461 -179.878 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.56 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 5.4 tp -65.77 -24.06 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.187 -0.946 . . . . 10.0 110.384 179.583 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -70.11 -39.67 75.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.985 -1.072 . . . . 10.0 109.364 179.065 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.33 -50.64 66.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.739 -0.601 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.56 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -57.98 -35.16 70.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.422 -0.799 . . . . 10.0 109.957 179.718 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.5 mm -69.27 -39.99 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.247 -0.908 . . . . 10.0 109.638 179.017 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.64 -32.25 70.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.53 -0.731 . . . . 10.0 109.898 179.28 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.34 -41.2 98.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.635 -0.665 . . . . 10.0 109.825 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.542 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 40.4 t -78.26 -31.12 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.419 -0.8 . . . . 10.0 109.642 179.319 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.68 -38.97 80.77 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.481 -0.762 . . . . 10.0 110.753 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -60.43 -38.91 85.6 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.384 -0.822 . . . . 10.0 110.463 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.53 -37.51 87.59 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.202 -0.936 . . . . 10.0 109.235 178.791 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.712 ' O ' HD12 ' A' ' 23' ' ' LEU . 27.2 t80 -68.36 -23.13 64.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.665 -0.647 . . . . 10.0 110.31 179.073 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -88.16 -24.96 23.19 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.033 -1.042 . . . . 10.0 110.125 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -60.51 -50.15 74.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.517 -0.74 . . . . 10.0 110.714 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.484 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 18.2 p-90 -68.92 -24.83 64.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.152 -0.967 . . . . 10.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -73.1 -38.35 66.39 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.167 -0.958 . . . . 10.0 109.708 178.845 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -68.96 -37.19 78.68 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.545 -0.722 . . . . 10.0 109.809 179.14 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.11 86.38 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 10.0 110.213 179.508 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -80.07 -39.57 29.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.429 -0.794 . . . . 10.0 110.126 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.609 -0.682 . . . . 10.0 110.057 179.648 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.64 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 121.137 0.494 . . . . 10.0 110.889 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -34.38 76.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.113 -0.992 . . . . 10.0 109.755 179.032 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.56 -20.2 61.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.732 . . . . 10.0 109.908 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.64 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -50.09 -35.86 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 10.0 110.475 179.651 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -77.87 -41.71 35.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.167 -0.958 . . . . 10.0 109.457 179.288 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.71 -47.51 75.14 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.688 -0.632 . . . . 10.0 110.127 179.652 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -54.24 -37.17 64.34 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.584 -0.697 . . . . 10.0 109.871 179.753 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.5 mm -75.56 -34.32 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.318 -0.864 . . . . 10.0 110.023 178.925 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -59.25 -44.58 92.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.573 -0.704 . . . . 10.0 110.639 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -46.34 90.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.4 -0.813 . . . . 10.0 109.666 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.54 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 84.6 t -68.88 -31.05 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.577 -0.702 . . . . 10.0 109.998 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -37.48 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -0.844 . . . . 10.0 110.112 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -42.43 98.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.459 -0.776 . . . . 10.0 109.826 179.321 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.1 -40.03 92.18 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.547 -0.721 . . . . 10.0 109.184 178.747 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -67.43 -34.73 77.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.622 -0.674 . . . . 10.0 109.958 179.015 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -63.99 -42.89 97.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.378 -0.826 . . . . 10.0 109.391 179.042 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 m -59.17 -42.4 90.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.482 -0.761 . . . . 10.0 109.344 178.954 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.583 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 32.4 t90 -65.84 -43.6 88.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.607 -0.683 . . . . 10.0 109.443 178.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.583 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.64 -32.62 74.29 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.601 -0.687 . . . . 10.0 110.381 179.553 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' HD12 ' A' ' 27' ' ' LEU . 16.5 tttm -67.49 -31.66 71.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.428 -0.795 . . . . 10.0 110.244 179.599 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.82 78.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.349 -0.844 . . . . 10.0 109.793 179.471 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.02 -23.93 30.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.593 -0.692 . . . . 10.0 109.973 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.361 0.6 . . . . 10.0 110.327 -179.548 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.543 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.503 2.208 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 . . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -43.11 81.01 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.238 -0.914 . . . . 10.0 110.61 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.82 -20.11 13.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.356 -0.84 . . . . 10.0 110.97 179.84 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -64.73 -32.73 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.072 -1.017 . . . . 10.0 110.128 179.912 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -75.04 -32.06 61.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.962 -1.086 . . . . 10.0 109.384 178.981 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.91 -47.18 66.45 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.559 -0.713 . . . . 10.0 109.657 179.053 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.49 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -58.06 -36.36 72.67 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.505 -0.747 . . . . 10.0 109.399 179.365 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.2 mm -68.45 -37.94 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.347 -0.846 . . . . 10.0 109.683 178.923 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.34 -33.17 75.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.484 -0.76 . . . . 10.0 110.345 179.541 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.57 -49.06 51.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.421 -0.799 . . . . 10.0 110.28 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 12' ' ' ILE . 7.4 p -68.87 -29.28 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.48 -0.762 . . . . 10.0 111.101 -179.851 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -78.22 -38.22 43.56 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.978 -1.076 . . . . 10.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -65.08 -44.33 89.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.252 -0.905 . . . . 10.0 110.252 179.787 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -36.83 80.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.399 -0.813 . . . . 10.0 109.39 179.007 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.06 -37.86 66.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.691 -0.631 . . . . 10.0 109.848 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -60.36 -45.94 91.72 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.595 -0.691 . . . . 10.0 110.024 179.52 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -62.39 -41.55 98.74 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 10.0 109.755 179.222 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.856 ' HE3' HD22 ' A' ' 23' ' ' LEU . 69.9 t90 -60.43 -41.43 93.97 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.579 -0.7 . . . . 10.0 109.877 179.295 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.856 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -61.96 -47.46 84.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.595 -0.691 . . . . 10.0 110.027 179.613 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -46.93 80.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.607 -0.683 . . . . 10.0 109.849 179.531 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.3 72.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.61 -0.681 . . . . 10.0 110.418 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -71.8 -34.93 69.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.397 -0.815 . . . . 10.0 110.329 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 O-C-N 121.551 -0.718 . . . . 10.0 110.155 179.886 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.613 ' HA ' HG22 ' A' ' 8' ' ' ILE . 28.1 mt . . . . . 0 N--CA 1.508 2.457 0 N-CA-C 111.509 0.188 . . . . 10.0 111.509 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -60.6 -22.59 63.91 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.064 -1.022 . . . . 10.0 110.605 179.775 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -107.2 -11.54 15.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.238 -0.914 . . . . 10.0 110.243 178.925 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.613 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -99.19 -25.0 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 10.0 110.261 179.63 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -75.37 -20.66 58.84 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.124 -0.985 . . . . 10.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 1.1 t70 -83.68 -43.71 15.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.347 -0.846 . . . . 10.0 109.155 179.261 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.51 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.56 -32.67 71.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.683 -0.636 . . . . 10.0 109.539 179.184 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.3 mm -75.8 -44.05 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.312 -0.868 . . . . 10.0 109.806 178.988 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.94 -38.06 84.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.588 -0.695 . . . . 10.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.33 -55.26 33.7 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.377 -0.827 . . . . 10.0 110.177 179.746 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.0 t -65.85 -32.83 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.484 -0.76 . . . . 10.0 110.029 179.54 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -64.61 -41.25 96.33 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.487 -0.758 . . . . 10.0 110.236 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 t -63.05 -42.34 99.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.306 -0.871 . . . . 10.0 109.551 179.362 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -41.93 88.11 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.705 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -70.81 -38.04 73.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.659 -0.651 . . . . 10.0 109.442 178.622 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.59 95.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.668 -0.645 . . . . 10.0 109.888 179.362 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -62.41 -45.51 92.79 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 10.0 109.506 179.146 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.534 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 20.3 t90 -64.42 -43.38 94.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.584 -0.697 . . . . 10.0 109.67 179.177 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.534 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.82 -39.31 80.83 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.522 -0.736 . . . . 10.0 110.351 179.805 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -42.29 91.3 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.104 179.663 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.04 82.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.511 -0.743 . . . . 10.0 110.315 179.526 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -74.43 -36.54 63.41 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.442 -0.786 . . . . 10.0 110.524 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.034 0 O-C-N 121.506 -0.747 . . . . 10.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.532 ' O ' HG22 ' A' ' 8' ' ' ILE . 1.4 pp . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 120.752 0.311 . . . . 10.0 111.313 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -28.6 65.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.138 -0.976 . . . . 10.0 110.321 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -101.73 -19.85 15.2 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.488 -0.758 . . . . 10.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 5' ' ' LEU . 12.0 tt -62.07 -27.41 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.063 -1.023 . . . . 10.0 111.222 -179.587 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -34.09 64.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.268 -0.895 . . . . 10.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.32 -36.86 64.21 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.52 -0.737 . . . . 10.0 110.248 179.513 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -61.28 -47.75 84.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.575 -0.703 . . . . 10.0 109.769 179.324 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.43 -32.4 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.259 -0.901 . . . . 10.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 t -62.15 -39.96 94.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.34 -0.85 . . . . 10.0 110.285 179.913 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.24 -51.66 59.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.536 -0.727 . . . . 10.0 110.467 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.16 -28.26 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.296 -0.878 . . . . 10.0 110.443 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.35 -44.57 71.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.201 -0.937 . . . . 10.0 110.13 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 p -64.87 -35.8 82.31 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 10.0 109.51 179.287 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.01 -38.56 91.69 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.589 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -65.18 -35.17 80.24 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.73 -0.606 . . . . 10.0 109.635 178.87 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.2 -48.55 67.54 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.479 -0.763 . . . . 10.0 109.394 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -66.02 -40.01 90.7 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.543 -0.723 . . . . 10.0 109.767 179.099 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.543 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 26.1 t90 -59.38 -41.24 88.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.624 -0.673 . . . . 10.0 109.899 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.95 -45.2 82.67 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.533 -0.73 . . . . 10.0 110.345 179.782 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -70.29 -36.94 74.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.455 -0.778 . . . . 10.0 110.246 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.492 -0.755 . . . . 10.0 110.257 179.534 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -16.44 24.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.252 -0.905 . . . . 10.0 110.556 179.409 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.059 0 O-C-N 121.489 -0.757 . . . . 10.0 110.167 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 120.905 0.383 . . . . 10.0 110.418 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.88 143.39 25.37 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.726 -1.35 . . . . 10.0 109.726 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -105.5 -59.97 1.69 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.461 -1.023 . . . . 10.0 110.121 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 6' ' ' ARG . 27.0 p-90 -169.01 -158.54 0.21 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.474 -0.766 . . . . 10.0 110.177 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 1.1 mp -78.47 56.08 1.71 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.442 -0.786 . . . . 10.0 109.905 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 53.2 ttp180 -56.44 -49.47 74.49 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.237 -0.915 . . . . 10.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -27.52 68.55 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.415 -0.803 . . . . 10.0 110.719 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.716 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -56.37 -31.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.388 -0.82 . . . . 10.0 110.812 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.474 ' CD1' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -68.21 -12.49 61.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.229 -0.919 . . . . 10.0 111.162 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 15.1 t70 -79.01 -34.96 43.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 10.0 108.804 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.549 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.96 -30.31 67.81 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.632 -0.668 . . . . 10.0 109.644 178.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.549 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.4 mm -97.44 -39.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.136 -0.978 . . . . 10.0 110.175 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.96 -39.79 72.35 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.323 -0.861 . . . . 10.0 111.2 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -39.21 84.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.271 -0.893 . . . . 10.0 110.744 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.1 t -77.4 -29.37 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.355 -0.841 . . . . 10.0 110.787 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 2.9 39.31 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.214 -0.929 . . . . 10.0 111.406 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -49.91 56.75 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 10.0 110.379 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.448 -0.783 . . . . 10.0 109.457 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -64.81 -34.15 77.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.616 -0.677 . . . . 10.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -70.81 -49.11 49.92 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.383 -0.823 . . . . 10.0 110.067 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -56.22 -42.09 76.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.526 -0.734 . . . . 10.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.555 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 67.1 t90 -62.6 -43.82 97.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.556 -0.715 . . . . 10.0 109.918 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -70.93 -38.98 72.91 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.443 -0.786 . . . . 10.0 110.459 179.699 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -60.39 -33.35 72.35 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.463 -0.773 . . . . 10.0 110.192 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.11 -39.09 50.78 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 10.0 110.094 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.65 -33.93 69.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 10.0 110.419 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -75.6 -25.54 57.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.43 -0.794 . . . . 10.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.7 ttt -65.88 120.95 73.23 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 121.258 -0.901 . . . . 10.0 110.447 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -75.56 -176.08 2.78 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.902 1.475 . . . . 10.0 110.41 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 131.57 47.9 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.278 -0.889 . . . . 10.0 110.185 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.867 -1.063 . . . . 10.0 110.406 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 120.808 0.337 . . . . 10.0 110.543 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.23 -37.4 3.69 Favored Glycine 0 N--CA 1.496 2.693 0 N-CA-C 109.899 -1.28 . . . . 10.0 109.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -75.55 -81.85 0.07 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.455 -1.026 . . . . 10.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.481 ' CD2' ' HB2' ' A' ' 7' ' ' ASP . 0.3 OUTLIER 56.61 23.56 7.86 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.568 -0.707 . . . . 10.0 111.363 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.5 pp -77.46 -18.85 56.78 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.925 -1.109 . . . . 10.0 110.805 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -82.11 -16.0 51.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 10.0 109.859 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.481 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . 26.6 m-20 -100.03 -30.27 12.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.556 -0.715 . . . . 10.0 110.212 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.669 ' O ' HD12 ' A' ' 12' ' ' ILE . 13.0 tt -61.55 -29.82 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.223 -0.923 . . . . 10.0 110.59 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -62.34 -41.28 98.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.123 -0.986 . . . . 10.0 109.804 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.59 -39.3 76.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.552 -0.718 . . . . 10.0 109.603 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 1.4 t90 -57.61 -54.31 48.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.717 -0.614 . . . . 10.0 109.544 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.7 mp -69.72 -35.21 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.181 -0.949 . . . . 10.0 110.141 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.44 -33.25 67.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.48 -0.763 . . . . 10.0 110.169 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.05 -45.88 17.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.72 . . . . 10.0 110.084 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.07 -34.54 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.614 -0.679 . . . . 10.0 110.806 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -9.25 59.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.195 -0.941 . . . . 10.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.5 t -82.95 -60.22 2.23 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.101 -1.0 . . . . 10.0 110.29 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.97 -31.9 67.34 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.304 -0.873 . . . . 10.0 109.539 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -65.82 -39.57 91.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.595 -0.691 . . . . 10.0 109.531 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -62.58 -35.16 78.63 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.744 . . . . 10.0 109.578 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -69.46 -39.89 77.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.593 -0.692 . . . . 10.0 109.648 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.592 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 52.4 t90 -59.81 -47.01 87.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.631 -0.668 . . . . 10.0 110.067 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -68.74 -43.63 75.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.493 -0.755 . . . . 10.0 110.318 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -63.43 -41.93 98.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.517 -0.739 . . . . 10.0 109.923 179.558 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.93 75.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.436 -0.79 . . . . 10.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -75.83 -21.55 57.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.542 -0.724 . . . . 10.0 110.659 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.37 56.69 3.66 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.539 -0.726 . . . . 10.0 110.249 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.416 ' HB2' HD23 ' A' ' 23' ' ' LEU . 28.2 mtp -97.29 122.06 56.94 Favored Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.313 -0.867 . . . . 10.0 110.19 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -74.86 -171.81 1.07 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.977 1.514 . . . . 10.0 110.648 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.39 113.36 8.34 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.341 -0.849 . . . . 10.0 110.004 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.33 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.127 0.489 . . . . 10.0 110.317 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.87 80.4 1.83 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 109.537 -1.425 . . . . 10.0 109.537 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 m -103.49 -23.18 13.54 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.568 -0.96 . . . . 10.0 111.038 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -96.36 -0.45 49.39 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.222 -0.924 . . . . 10.0 111.5 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.441 ' HA ' HG22 ' A' ' 8' ' ' ILE . 2.3 mp -65.55 -27.48 68.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.21 -0.931 . . . . 10.0 110.559 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -25.45 65.48 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.224 -0.923 . . . . 10.0 110.703 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.57 -35.12 10.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.353 -0.842 . . . . 10.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.565 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 2.6 tp -63.77 -27.48 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.194 -0.941 . . . . 10.0 110.935 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.411 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 52.3 m0 -66.66 -41.49 88.12 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.077 -1.014 . . . . 10.0 109.822 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.78 -48.22 77.81 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.643 -0.661 . . . . 10.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.565 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.05 -37.99 81.46 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.539 -0.726 . . . . 10.0 109.814 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.4 mm -66.59 -37.76 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.3 -0.875 . . . . 10.0 109.817 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.62 -31.73 72.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.458 -0.776 . . . . 10.0 109.884 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -71.95 -46.91 55.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.463 -0.773 . . . . 10.0 110.309 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.1 p -73.71 -24.63 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.343 -0.848 . . . . 10.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 16' ' ' LEU . 3.5 tm? -83.02 -41.16 19.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.232 -0.917 . . . . 10.0 110.454 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 p -61.06 -48.93 79.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.326 -0.859 . . . . 10.0 110.649 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -37.84 72.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.506 -0.746 . . . . 10.0 109.646 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.32 -37.65 74.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.689 -0.632 . . . . 10.0 110.167 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.437 -0.789 . . . . 10.0 110.13 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -60.27 -42.64 95.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 10.0 109.685 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.581 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.6 t90 -68.97 -41.16 78.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.612 -0.68 . . . . 10.0 109.658 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -67.79 -41.04 83.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.458 -0.776 . . . . 10.0 110.701 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.82 -46.09 90.33 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.398 -0.814 . . . . 10.0 110.199 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.91 73.08 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.609 -0.682 . . . . 10.0 110.376 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -30.83 62.96 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.321 -0.862 . . . . 10.0 110.409 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -50.37 12.95 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.457 -0.777 . . . . 10.0 110.62 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 mtt -92.11 122.72 64.47 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.366 -0.834 . . . . 10.0 110.317 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.5 -18.79 25.61 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 O-C-N 123.942 1.496 . . . . 10.0 111.184 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -118.69 21.65 12.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.418 -0.801 . . . . 10.0 110.631 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.875 -1.06 . . . . 10.0 109.933 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 121.095 0.474 . . . . 10.0 110.471 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.35 -147.72 8.73 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.697 -1.361 . . . . 10.0 109.697 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.25 -47.64 4.65 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.465 -1.021 . . . . 10.0 110.482 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.461 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 4.2 m95 60.86 -177.71 0.11 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.774 -0.579 . . . . 10.0 110.8 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.2 mt 64.09 -72.7 0.06 Allowed 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -60.18 -22.96 63.56 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.227 -0.921 . . . . 10.0 109.228 178.099 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -99.23 -17.07 18.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.759 -0.588 . . . . 10.0 110.382 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 5' ' ' LEU . 8.3 tt -89.27 -26.39 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.14 -0.975 . . . . 10.0 111.041 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -68.14 -41.46 81.61 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.269 -0.895 . . . . 10.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.01 -40.46 70.16 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.574 -0.704 . . . . 10.0 109.945 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.598 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.68 -52.04 67.05 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 12' ' ' ILE . 30.5 mm -69.16 -27.74 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.582 -0.699 . . . . 10.0 110.568 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.09 -38.49 91.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.275 -0.891 . . . . 10.0 110.172 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -44.38 62.01 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.374 -0.829 . . . . 10.0 109.697 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.96 -33.66 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.563 -0.711 . . . . 10.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.92 -27.61 62.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.291 -0.88 . . . . 10.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.21 -53.69 52.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.296 -0.877 . . . . 10.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -40.81 78.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.262 -0.899 . . . . 10.0 109.622 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.471 ' O ' HD12 ' A' ' 23' ' ' LEU . 29.7 t80 -68.5 -19.75 64.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.566 -0.709 . . . . 10.0 110.517 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 7.79 37.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.204 -0.935 . . . . 10.0 110.227 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.9 -41.65 6.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.908 . . . . 10.0 110.097 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.48 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.1 p-90 -64.76 -26.66 68.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.334 -0.854 . . . . 10.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -65.93 -38.41 88.6 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.244 -0.91 . . . . 10.0 109.783 178.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.16 -32.65 74.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.611 -0.68 . . . . 10.0 109.919 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.25 72.97 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.37 -0.831 . . . . 10.0 109.764 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -29.89 19.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.485 -0.759 . . . . 10.0 109.844 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -82.74 -61.15 1.95 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.299 -0.876 . . . . 10.0 110.854 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 tpt -95.91 118.75 65.65 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.385 -0.822 . . . . 10.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -74.95 -176.11 2.7 Favored 'Trans proline' 0 C--N 1.314 -1.237 0 O-C-N 123.879 1.463 . . . . 10.0 110.578 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.47 129.98 44.31 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.432 -0.793 . . . . 10.0 110.069 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 118.454 -0.784 . . . . 10.0 110.913 -179.688 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 120.956 0.408 . . . . 10.0 110.33 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.64 -176.65 26.43 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.93 -1.268 . . . . 10.0 109.93 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -111.19 36.38 3.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.47 -1.017 . . . . 10.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.629 ' C ' ' HG ' ' A' ' 5' ' ' LEU . 5.5 m95 -151.44 -170.13 3.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.504 -0.748 . . . . 10.0 110.095 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.629 ' HG ' ' C ' ' A' ' 4' ' ' TRP . 3.6 pp 33.95 38.52 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.538 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -103.25 -50.4 3.48 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.192 -0.943 . . . . 10.0 109.45 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -101.38 -13.22 18.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 10.0 110.633 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.515 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 16.3 tt -59.7 -31.48 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.212 -0.93 . . . . 10.0 110.189 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.93 -38.5 37.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.503 -0.748 . . . . 10.0 109.513 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.52 -37.64 88.09 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.657 -0.652 . . . . 10.0 110.007 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.66 -39.92 90.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.491 -0.755 . . . . 10.0 109.436 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.8 mm -83.95 -28.74 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.236 -0.915 . . . . 10.0 110.29 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.95 -40.87 62.75 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.21 -0.931 . . . . 10.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.42 -51.13 60.21 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.301 -0.874 . . . . 10.0 110.621 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.65 -32.77 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.419 -0.801 . . . . 10.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.87 -46.53 12.91 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.169 -0.957 . . . . 10.0 109.389 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -59.66 -39.67 85.17 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.61 -0.682 . . . . 10.0 109.823 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.92 -41.66 96.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.51 -35.92 68.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.815 -0.553 . . . . 10.0 109.612 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.66 -44.48 77.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.708 . . . . 10.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.0 m -62.5 -42.34 99.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.374 -0.829 . . . . 10.0 109.902 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -70.07 -41.46 74.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.43 -0.794 . . . . 10.0 110.13 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.1 tp -71.87 -41.79 67.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.78 . . . . 10.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -28.74 70.08 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.303 -0.873 . . . . 10.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.76 91.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.29 -0.881 . . . . 10.0 110.344 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -94.88 -39.29 10.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 10.0 110.249 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 27' ' ' LEU . 1.5 tm? -120.74 98.38 5.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.415 -0.803 . . . . 10.0 110.131 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.637 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 6.0 tpt -85.15 -55.8 0.41 Allowed Pre-proline 0 N--CA 1.498 1.964 0 O-C-N 121.408 -0.807 . . . . 10.0 110.959 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 47.9 Cg_endo -73.47 169.99 20.99 Favored 'Trans proline' 0 N--CA 1.489 1.208 0 O-C-N 123.141 1.074 . . . . 10.0 110.576 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 35.14 57.43 0.79 Allowed 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 121.417 0.627 . . . . 10.0 111.603 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 117.825 -1.084 . . . . 10.0 110.979 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 121.21 0.529 . . . . 10.0 110.425 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.81 -147.45 26.47 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.636 -1.385 . . . . 10.0 109.636 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 p -125.3 -71.79 0.69 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.408 -1.054 . . . . 10.0 110.304 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.615 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -158.96 -158.77 0.72 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.334 -0.854 . . . . 10.0 110.364 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.642 HD23 ' CZ2' ' A' ' 9' ' ' TRP . 5.1 mp -53.98 -31.5 51.0 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.535 -0.728 . . . . 10.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -55.58 -35.37 65.71 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.54 -0.725 . . . . 10.0 109.948 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -102.79 -34.96 8.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.782 -0.574 . . . . 10.0 109.916 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.39 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.492 -0.755 . . . . 10.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.642 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 28.4 m0 -67.92 -40.42 83.38 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.265 -0.897 . . . . 10.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -37.01 84.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.697 -0.627 . . . . 10.0 110.137 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -41.91 89.55 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.348 -0.845 . . . . 10.0 109.466 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.1 mm -74.33 -36.41 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.3 -0.875 . . . . 10.0 109.968 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.42 -39.46 71.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.338 -0.851 . . . . 10.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.27 -48.97 47.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 10.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.95 -32.73 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.195 -0.941 . . . . 10.0 110.726 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.58 -42.31 18.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.123 -0.986 . . . . 10.0 109.653 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 t -62.0 -43.71 98.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 10.0 110.001 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.61 -40.12 90.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.271 -0.893 . . . . 10.0 109.602 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -67.87 -37.3 81.64 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.519 -0.738 . . . . 10.0 110.224 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -78.24 -37.57 44.91 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.48 -0.763 . . . . 10.0 110.217 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -60.76 -43.42 98.03 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.747 . . . . 10.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.846 ' HE3' HD22 ' A' ' 23' ' ' LEU . 66.7 t90 -65.1 -49.83 68.46 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.404 -0.81 . . . . 10.0 110.01 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.846 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -61.07 -40.78 94.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.366 -0.834 . . . . 10.0 110.351 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -72.0 -36.23 69.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 10.0 110.02 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.69 76.34 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 10.0 109.947 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -7.76 51.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.414 -0.804 . . . . 10.0 110.796 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER 56.51 43.06 26.46 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.4 -0.812 . . . . 10.0 110.546 -179.778 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 58.04 87.98 0.13 Allowed Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.639 -0.663 . . . . 10.0 110.684 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.09 -176.97 2.66 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 O-C-N 123.793 1.417 . . . . 10.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -57.49 137.37 56.32 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.515 -0.74 . . . . 10.0 110.847 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 117.921 -1.037 . . . . 10.0 110.436 -179.848 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 120.89 0.376 . . . . 10.0 110.312 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.79 -119.28 2.41 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.299 -1.52 . . . . 10.0 109.299 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -168.18 -50.45 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.502 -0.999 . . . . 10.0 110.515 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.491 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -77.67 -134.31 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.496 -0.753 . . . . 10.0 109.712 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.598 ' HA ' HG22 ' A' ' 8' ' ' ILE . 5.3 mp -52.5 -28.76 21.8 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.078 -1.014 . . . . 10.0 110.535 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.18 -25.55 65.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.338 -0.851 . . . . 10.0 110.841 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.97 -29.31 9.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.324 -0.86 . . . . 10.0 110.678 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.598 HG22 ' HA ' ' A' ' 5' ' ' LEU . 9.8 tt -61.45 -36.41 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.161 -0.962 . . . . 10.0 110.442 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.427 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 23.5 m0 -66.18 -37.16 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.312 -0.868 . . . . 10.0 109.233 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.13 -35.57 73.71 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 10.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.03 -49.25 75.36 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.608 -0.682 . . . . 10.0 109.298 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 8' ' ' ILE . 4.0 mt -72.29 -36.79 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.368 -0.832 . . . . 10.0 109.786 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 t -57.54 -42.87 83.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.642 -0.661 . . . . 10.0 110.511 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -58.16 -40.64 81.92 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.509 -0.744 . . . . 10.0 110.105 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.52 -23.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 10.0 110.3 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD13 HG22 ' A' ' 12' ' ' ILE . 1.3 tp -70.64 -22.13 62.55 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.268 -0.895 . . . . 10.0 111.152 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -58.26 8.93 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.126 -0.984 . . . . 10.0 110.622 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.524 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 m-20 -62.29 -31.43 72.03 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.232 -0.918 . . . . 10.0 109.774 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -70.86 -36.28 72.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 109.482 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -33.85 27.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.492 -0.755 . . . . 10.0 110.327 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -61.4 -34.75 75.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.314 -0.866 . . . . 10.0 110.165 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.588 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 47.0 t90 -74.14 -43.68 56.53 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.445 -0.784 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.588 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -68.55 -36.2 78.46 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.511 -0.743 . . . . 10.0 110.227 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -41.91 98.94 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.462 -0.774 . . . . 10.0 109.892 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.21 67.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.567 -0.708 . . . . 10.0 110.306 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -32.85 21.98 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.359 -0.838 . . . . 10.0 110.258 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -73.78 -19.92 60.63 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.526 -0.734 . . . . 10.0 110.754 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.486 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 5.9 mtp -63.14 -59.68 11.64 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.127 -0.983 . . . . 10.0 110.767 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' HD3' ' HB2' ' A' ' 28' ' ' MET . 48.1 Cg_endo -74.28 147.82 37.9 Favored 'Trans proline' 0 N--CA 1.487 1.125 0 O-C-N 123.36 1.189 . . . . 10.0 110.467 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 51.8 76.04 0.19 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.399 0.619 . . . . 10.0 110.635 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 O-C-N 121.353 -0.842 . . . . 10.0 110.758 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.8 m . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 120.847 0.356 . . . . 10.0 110.533 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.77 -155.81 10.43 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.848 -1.301 . . . . 10.0 109.848 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -84.37 -37.96 20.9 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.558 -0.966 . . . . 10.0 110.464 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.407 ' CZ3' ' HB ' ' A' ' 8' ' ' ILE . 43.0 p-90 -142.35 135.43 28.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.266 -0.896 . . . . 10.0 110.032 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.646 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -131.5 13.7 4.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.277 -0.889 . . . . 10.0 111.444 -179.572 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -80.05 -44.11 20.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.004 -1.06 . . . . 10.0 109.687 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.5 -34.13 21.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.57 -0.706 . . . . 10.0 110.707 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 5' ' ' LEU . 8.1 tt -64.55 -28.56 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.251 -0.906 . . . . 10.0 110.841 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -68.53 -45.42 72.28 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.183 -0.948 . . . . 10.0 109.901 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.64 -39.97 92.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.423 -0.798 . . . . 10.0 109.919 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -55.56 -35.94 66.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.73 179.482 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.508 HG12 ' CD1' ' A' ' 11' ' ' TRP . 5.6 mm -89.56 -38.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.244 -0.91 . . . . 10.0 110.231 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 t -65.75 -42.97 90.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.407 -0.808 . . . . 10.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.54 -52.97 62.93 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.447 -0.783 . . . . 10.0 110.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.22 -35.02 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.526 -0.734 . . . . 10.0 110.177 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.1 -22.94 51.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 10.0 110.148 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -50.61 59.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.364 -0.835 . . . . 10.0 109.835 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.94 -41.02 86.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.395 -0.816 . . . . 10.0 108.953 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.01 -38.08 81.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.661 -0.649 . . . . 10.0 109.475 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -64.67 -39.42 93.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.524 -0.735 . . . . 10.0 109.595 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -58.93 -44.06 91.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.507 -0.746 . . . . 10.0 109.512 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.827 ' HE3' HD22 ' A' ' 23' ' ' LEU . 71.4 t90 -70.71 -42.65 70.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.653 -0.654 . . . . 10.0 109.675 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.827 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -62.48 -40.92 98.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.584 -0.698 . . . . 10.0 110.451 179.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -62.64 -43.15 99.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.417 -0.802 . . . . 10.0 110.342 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.35 -37.51 71.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.461 -0.775 . . . . 10.0 110.438 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.25 -34.92 66.11 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 10.0 110.592 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -21.55 55.38 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.344 -0.847 . . . . 10.0 110.774 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.49 123.25 72.95 Favored Pre-proline 0 N--CA 1.5 2.045 0 O-C-N 121.344 -0.847 . . . . 10.0 110.595 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.18 98.69 1.19 Allowed 'Trans proline' 0 C--N 1.315 -1.188 0 O-C-N 123.807 1.425 . . . . 10.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 51.78 74.35 0.26 Allowed 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 121.432 0.634 . . . . 10.0 110.74 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.278 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 120.767 0.318 . . . . 10.0 110.299 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.33 95.23 2.36 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.569 -1.412 . . . . 10.0 109.569 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -99.78 30.11 3.82 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.592 -0.946 . . . . 10.0 110.794 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.71 -24.27 14.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.278 -0.889 . . . . 10.0 110.621 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -86.82 -25.42 24.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.491 -0.756 . . . . 10.0 110.536 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.15 -49.72 76.77 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.942 . . . . 10.0 110.036 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -33.56 74.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.776 . . . . 10.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.543 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 1.4 tt -79.52 -8.82 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.119 -0.988 . . . . 10.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -43.98 8.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.984 -1.072 . . . . 10.0 109.78 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.3 -40.34 95.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.415 -0.803 . . . . 10.0 109.82 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.543 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.44 -33.4 72.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.546 -0.721 . . . . 10.0 109.683 179.432 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.457 HG12 ' NE1' ' A' ' 11' ' ' TRP . 4.6 mm -78.37 -30.79 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.34 -0.85 . . . . 10.0 110.263 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.71 -43.64 65.58 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.294 -0.879 . . . . 10.0 110.669 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -41.87 92.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 10.0 110.153 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -78.5 -24.98 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.861 . . . . 10.0 110.168 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -43.9 97.96 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.235 -0.915 . . . . 10.0 110.289 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.6 p -63.93 -40.53 96.66 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.291 -0.881 . . . . 10.0 109.383 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.15 -39.28 89.5 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -69.11 -37.73 78.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.75 -0.594 . . . . 10.0 109.988 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -61.21 -44.34 97.44 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.364 -0.835 . . . . 10.0 109.884 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.1 m -61.65 -36.94 82.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.532 -0.73 . . . . 10.0 109.686 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.544 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.9 t90 -68.78 -39.45 80.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.625 -0.672 . . . . 10.0 109.733 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.2 -28.7 69.92 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.58 -0.7 . . . . 10.0 110.237 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -84.02 -41.36 17.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.447 -0.783 . . . . 10.0 109.72 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.64 82.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.582 -0.699 . . . . 10.0 109.849 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -17.93 34.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.47 -0.769 . . . . 10.0 110.285 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.1 96.65 0.06 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.735 -0.603 . . . . 10.0 110.308 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.26 147.56 0.12 Allowed Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 121.973 -0.454 . . . . 10.0 110.808 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.8 ' HG2' HD13 ' A' ' 31' ' ' LEU . 49.1 Cg_endo -77.94 177.61 8.59 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.769 1.405 . . . . 10.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.63 80.63 1.1 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.471 -0.768 . . . . 10.0 110.243 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.8 HD13 ' HG2' ' A' ' 29' ' ' PRO . 2.7 mp . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.937 -1.03 . . . . 10.0 110.363 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.077 0.465 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.02 -171.81 12.98 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.635 -1.386 . . . . 10.0 109.635 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -115.43 53.07 0.85 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.47 -1.017 . . . . 10.0 110.259 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -141.56 -176.39 4.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.442 -0.786 . . . . 10.0 110.331 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp 66.29 -62.26 0.27 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 122.05 -0.406 . . . . 10.0 111.186 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -38.48 64.79 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.091 -1.006 . . . . 10.0 110.221 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.6 -19.2 58.1 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 10.0 110.626 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt -93.84 -28.45 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.242 -0.911 . . . . 10.0 109.652 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -64.43 -46.75 81.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.557 -0.715 . . . . 10.0 110.486 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.32 -39.14 92.07 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.33 -0.856 . . . . 10.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.39 -29.69 66.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.766 . . . . 10.0 110.199 179.579 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.1 mm -99.06 -34.39 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.135 -0.978 . . . . 10.0 110.55 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 t -77.6 -40.38 42.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.324 -0.86 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.74 -35.0 79.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.18 -0.95 . . . . 10.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.26 -28.72 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.316 -0.865 . . . . 10.0 110.357 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.47 -32.16 24.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.275 -0.891 . . . . 10.0 111.043 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -56.83 -47.2 80.87 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.223 -0.923 . . . . 10.0 110.478 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.4 -36.31 79.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.292 -0.88 . . . . 10.0 109.136 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -20.22 63.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.723 -0.611 . . . . 10.0 110.496 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -8.54 49.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.226 -0.921 . . . . 10.0 110.268 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 m -80.24 -50.57 10.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.353 -0.842 . . . . 10.0 110.024 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 26.4 p-90 -68.4 -25.04 64.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.317 -0.864 . . . . 10.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -76.09 -38.98 56.34 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.264 -0.898 . . . . 10.0 109.884 179.097 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -65.45 -41.51 93.34 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.515 -0.741 . . . . 10.0 109.761 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.26 90.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.652 -0.655 . . . . 10.0 110.298 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -70.65 -30.59 67.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.775 . . . . 10.0 110.447 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.73 -59.09 3.01 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.418 -0.801 . . . . 10.0 110.14 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ttm 53.56 84.62 0.21 Allowed Pre-proline 0 N--CA 1.502 2.172 0 O-C-N 121.891 -0.506 . . . . 10.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 45.3 Cg_endo -72.51 95.4 0.79 Allowed 'Trans proline' 0 C--N 1.313 -1.326 0 O-C-N 123.704 1.371 . . . . 10.0 110.238 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 29' ' ' PRO . 1.5 pt20 33.14 57.6 0.47 Allowed 'General case' 0 N--CA 1.508 2.463 0 CA-C-O 121.41 0.624 . . . . 10.0 111.737 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 117.866 -1.064 . . . . 10.0 110.655 179.883 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.078 0.466 . . . . 10.0 110.41 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.38 -89.49 0.07 OUTLIER Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.888 -1.285 . . . . 10.0 109.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -131.4 -56.66 1.02 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.569 -0.959 . . . . 10.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.46 -142.62 0.06 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.296 -0.878 . . . . 10.0 110.51 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.8 tp -63.68 -14.76 55.06 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.063 -1.023 . . . . 10.0 111.601 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.45 96.57 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.054 -1.029 . . . . 10.0 110.54 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.11 -3.31 29.46 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.25 -0.906 . . . . 10.0 111.297 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.52 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 9.4 tt -71.6 -20.42 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 120.969 -1.082 . . . . 10.0 110.689 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -33.59 75.93 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.265 -0.897 . . . . 10.0 109.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.45 -37.68 62.85 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.623 -0.673 . . . . 10.0 110.065 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.19 -45.51 87.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.637 -0.665 . . . . 10.0 109.248 178.825 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.16 -26.26 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.402 -0.811 . . . . 10.0 109.987 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -56.75 -43.99 81.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.415 -0.803 . . . . 10.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.81 -39.44 80.07 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.642 -0.661 . . . . 10.0 109.988 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.65 -30.06 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.414 -0.804 . . . . 10.0 110.053 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -43.12 51.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.418 -0.801 . . . . 10.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 p -58.26 -44.02 88.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.351 -0.843 . . . . 10.0 110.406 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.1 -31.97 73.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.391 -0.818 . . . . 10.0 109.594 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -83.12 -7.41 59.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.633 -0.667 . . . . 10.0 110.851 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -113.77 11.48 18.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.029 -1.044 . . . . 10.0 111.311 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -116.26 -55.66 2.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.092 -1.005 . . . . 10.0 109.211 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.549 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 56.1 t90 -73.42 -39.13 65.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.586 -0.696 . . . . 10.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.549 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -74.46 -37.5 63.21 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.587 -0.695 . . . . 10.0 110.693 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 27' ' ' LEU . 16.8 tptt -66.41 -38.1 86.7 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.391 -0.818 . . . . 10.0 110.564 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.26 92.96 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.821 . . . . 10.0 110.399 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -91.38 -14.53 30.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 10.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER 59.13 67.68 0.89 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.444 -0.785 . . . . 10.0 109.916 -179.377 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 70.8 mtp 55.64 74.41 0.72 Allowed Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.673 -0.642 . . . . 10.0 110.741 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.71 70.71 4.99 Favored 'Trans proline' 0 N--CA 1.488 1.176 0 O-C-N 123.87 1.458 . . . . 10.0 110.649 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.36 158.33 0.1 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.402 0.62 . . . . 10.0 110.627 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.83 0 O-C-N 121.216 -0.928 . . . . 10.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.039 0.447 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.17 76.38 1.32 Allowed Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.427 -1.469 . . . . 10.0 109.427 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -132.9 -55.89 0.93 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.539 -0.977 . . . . 10.0 110.423 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' SER . 1.9 p-90 30.56 63.37 0.18 Allowed 'General case' 0 N--CA 1.51 2.573 0 CA-C-O 121.646 0.736 . . . . 10.0 111.554 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.638 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 pp -63.17 -24.58 67.95 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.583 -0.698 . . . . 10.0 111.279 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -64.57 -23.59 67.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.146 -0.971 . . . . 10.0 110.796 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -107.19 -32.81 7.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.288 -0.882 . . . . 10.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.638 HG22 ' HA ' ' A' ' 5' ' ' LEU . 12.1 tt -60.5 -34.27 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.123 -0.985 . . . . 10.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -69.77 -38.5 76.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.196 -0.94 . . . . 10.0 109.25 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.86 -39.97 96.04 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.681 -0.637 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -40.92 96.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.418 -0.802 . . . . 10.0 109.798 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.9 mm -67.85 -27.83 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.272 -0.892 . . . . 10.0 110.237 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.39 -37.16 52.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.207 -0.933 . . . . 10.0 109.824 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.81 -50.46 66.61 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.572 -0.705 . . . . 10.0 110.117 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.94 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.543 -0.723 . . . . 10.0 110.405 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tp -69.64 -43.74 72.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.243 -0.911 . . . . 10.0 110.002 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -64.63 -37.47 87.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.761 . . . . 10.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -40.55 94.23 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.02 -38.31 88.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.691 -0.63 . . . . 10.0 110.082 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -74.28 -41.62 60.91 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.416 -0.802 . . . . 10.0 110.06 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -65.69 -39.52 91.35 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.527 -0.733 . . . . 10.0 109.833 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.739 ' HE3' HD22 ' A' ' 23' ' ' LEU . 60.4 t90 -63.41 -45.03 92.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.422 -0.799 . . . . 10.0 109.991 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -63.35 -40.73 98.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.461 -0.774 . . . . 10.0 110.247 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -73.72 -31.27 63.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.348 -0.845 . . . . 10.0 110.152 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.04 65.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.521 -0.737 . . . . 10.0 109.558 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 -25.18 35.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.606 -0.684 . . . . 10.0 109.793 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.0 99.93 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.451 0.644 . . . . 10.0 111.052 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 tpt -119.2 75.49 15.55 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.36 -0.837 . . . . 10.0 110.105 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.06 169.65 21.94 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.731 1.385 . . . . 10.0 110.569 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.66 128.64 38.07 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.463 -0.773 . . . . 10.0 110.373 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.272 -0.871 . . . . 10.0 110.5 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.041 0.448 . . . . 10.0 110.343 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.76 142.43 24.55 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.475 -1.45 . . . . 10.0 109.475 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.79 25.65 11.51 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.494 -1.004 . . . . 10.0 110.75 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 -159.19 131.1 6.44 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.154 -0.966 . . . . 10.0 110.421 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.65 14.26 5.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.394 -0.816 . . . . 10.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.37 7.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.143 -0.973 . . . . 10.0 109.31 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.19 -26.93 62.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 10.0 110.356 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.1 tt -62.03 -33.7 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.269 -0.894 . . . . 10.0 109.818 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -67.63 -38.52 84.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.275 -0.891 . . . . 10.0 108.984 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.81 -0.556 . . . . 10.0 110.136 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.577 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -62.0 -37.33 84.43 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.441 -0.787 . . . . 10.0 109.79 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.1 mm -76.66 -40.59 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.291 -0.881 . . . . 10.0 109.841 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.63 -38.9 89.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.582 -0.699 . . . . 10.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -51.82 65.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.101 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.577 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 75.8 t -62.44 -34.44 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.414 -0.804 . . . . 10.0 109.867 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -43.85 95.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.436 -0.79 . . . . 10.0 109.443 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -62.31 -41.48 98.56 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.433 -0.792 . . . . 10.0 109.052 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.13 -23.58 66.64 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.547 -0.721 . . . . 10.0 110.276 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -97.03 -18.98 19.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.465 -0.772 . . . . 10.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -108.65 7.77 26.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.026 -1.046 . . . . 10.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -102.73 -38.51 7.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 10.0 110.269 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.458 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 41.0 p-90 -65.23 -26.08 67.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.258 -0.901 . . . . 10.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -70.44 -51.32 30.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.102 -0.999 . . . . 10.0 109.952 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -56.81 -24.61 52.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.458 -0.776 . . . . 10.0 110.903 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.17 -36.16 12.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.206 -0.934 . . . . 10.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -98.08 20.32 12.54 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.268 -0.895 . . . . 10.0 111.272 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.42 -61.97 1.36 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.143 -0.973 . . . . 10.0 110.045 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 38.8 tpp -162.46 64.61 1.61 Allowed Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.414 -0.804 . . . . 10.0 110.537 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.15 177.5 7.12 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.684 1.36 . . . . 10.0 110.342 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -89.56 87.72 7.15 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.289 -0.882 . . . . 10.0 109.799 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 118.225 -0.893 . . . . 10.0 110.451 -179.61 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 121.053 0.454 . . . . 10.0 110.452 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.61 120.21 0.93 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.637 -1.385 . . . . 10.0 109.637 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 5' ' ' LEU . 4.1 p -115.97 -81.78 0.61 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.484 -1.01 . . . . 10.0 110.184 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.429 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER 64.37 -68.59 0.1 Allowed 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.839 -0.538 . . . . 10.0 111.334 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 3' ' ' SER . 4.6 mt -50.3 -36.73 33.05 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.633 -0.667 . . . . 10.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 3.8 mpt_? -57.61 -39.59 77.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.359 -0.838 . . . . 10.0 109.864 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.92 -22.43 62.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.663 -0.648 . . . . 10.0 110.572 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 4' ' ' TRP . 3.6 mt -86.11 -30.68 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.256 -0.903 . . . . 10.0 109.608 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.447 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 53.6 m0 -60.68 -39.03 86.91 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.354 -0.841 . . . . 10.0 110.334 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.21 -47.86 72.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.496 -0.752 . . . . 10.0 110.24 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.605 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -55.51 -34.84 64.99 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.508 -0.745 . . . . 10.0 109.981 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.0 mm -73.31 -40.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 10.0 109.962 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.58 -37.37 86.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.473 -0.767 . . . . 10.0 110.35 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.79 -50.93 71.48 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.508 -0.745 . . . . 10.0 109.812 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.605 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 55.5 t -65.38 -31.92 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.508 -0.745 . . . . 10.0 109.464 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -41.64 83.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.494 -0.754 . . . . 10.0 109.35 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 m -63.86 -41.13 97.86 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.575 -0.703 . . . . 10.0 109.415 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.28 -40.52 90.7 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.63 -38.09 89.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.698 -0.626 . . . . 10.0 109.895 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -62.19 -42.0 98.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.32 -0.863 . . . . 10.0 109.815 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -67.14 -36.53 82.06 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.522 -0.736 . . . . 10.0 109.82 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.508 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 5.9 t90 -67.2 -37.15 83.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.467 -0.771 . . . . 10.0 109.645 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.508 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -57.24 -33.34 67.47 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.597 -0.69 . . . . 10.0 110.179 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.94 -31.84 21.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.35 -0.844 . . . . 10.0 109.641 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.97 65.66 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 10.0 109.356 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -28.19 35.21 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.674 -0.641 . . . . 10.0 109.526 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.14 109.01 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.53 0.681 . . . . 10.0 111.011 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.609 ' SD ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -110.69 95.61 24.27 Favored Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.409 -0.807 . . . . 10.0 110.079 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -77.06 54.34 4.57 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 O-C-N 123.877 1.462 . . . . 10.0 111.011 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.16 36.92 0.29 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.192 -0.943 . . . . 10.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD12 ' SD ' ' A' ' 28' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.9 -1.048 . . . . 10.0 110.376 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 121.06 0.457 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.13 133.75 31.24 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.386 -1.485 . . . . 10.0 109.386 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.31 35.28 22.46 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.781 -0.835 . . . . 10.0 110.717 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -128.29 -166.35 1.61 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.195 -0.94 . . . . 10.0 110.368 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.845 HD13 ' HB ' ' A' ' 8' ' ' ILE . 1.6 mm? 57.84 31.0 19.91 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.788 -0.57 . . . . 10.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -81.0 -55.76 4.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.179 -0.951 . . . . 10.0 109.611 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -103.02 18.06 22.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.451 -0.781 . . . . 10.0 110.004 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.845 ' HB ' HD13 ' A' ' 5' ' ' LEU . 2.4 mt -107.26 -38.22 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.274 -0.892 . . . . 10.0 109.81 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.536 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -58.95 -41.4 87.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.487 -0.758 . . . . 10.0 110.199 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -47.61 77.59 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.561 -0.712 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -61.8 -33.74 74.67 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.561 -0.712 . . . . 10.0 109.722 179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.3 mm -79.88 -34.64 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.286 -0.884 . . . . 10.0 109.77 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.3 t -59.59 -45.46 91.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.563 -0.711 . . . . 10.0 110.535 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.83 -48.01 80.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 10.0 109.809 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.588 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 70.2 t -62.75 -36.95 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.609 -0.682 . . . . 10.0 109.818 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -37.34 86.93 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.561 -0.712 . . . . 10.0 109.976 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -43.62 97.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.519 -0.738 . . . . 10.0 109.518 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.45 -39.6 91.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.627 -0.671 . . . . 10.0 109.245 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.79 -33.89 77.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.67 -0.644 . . . . 10.0 110.134 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -66.25 -46.81 75.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.36 -0.837 . . . . 10.0 109.64 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -63.47 -40.58 97.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 10.0 109.79 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.552 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 24.5 t90 -62.76 -43.36 99.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.664 -0.648 . . . . 10.0 109.925 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.552 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -60.52 -40.99 93.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.52 -0.738 . . . . 10.0 110.226 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -40.32 96.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 10.0 109.905 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.61 83.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 10.0 110.174 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -60.61 -34.44 74.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.553 -0.717 . . . . 10.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tt -81.87 -46.2 14.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.629 -0.67 . . . . 10.0 110.175 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -147.13 98.51 4.03 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 121.502 -0.749 . . . . 10.0 110.286 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -74.82 -173.08 1.41 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.829 1.436 . . . . 10.0 110.729 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -61.46 128.46 36.44 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.326 -0.859 . . . . 10.0 110.279 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.21 -0.9 . . . . 10.0 110.471 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 121.151 0.501 . . . . 10.0 110.377 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.24 78.47 1.41 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.492 -1.443 . . . . 10.0 109.492 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 p -121.7 -70.87 0.76 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.502 -0.999 . . . . 10.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.506 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -156.59 -143.1 0.11 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.373 -0.829 . . . . 10.0 109.781 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.0 mp -56.18 -28.56 58.61 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.23 -0.919 . . . . 10.0 110.392 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -34.84 72.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.459 -0.776 . . . . 10.0 110.279 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -30.01 11.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.563 -0.711 . . . . 10.0 110.425 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.509 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.98 -30.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.375 -0.828 . . . . 10.0 110.309 179.758 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -65.78 -37.85 87.43 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.202 -0.936 . . . . 10.0 109.404 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.65 -44.52 96.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.48 -0.763 . . . . 10.0 109.926 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -36.53 84.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.475 -0.765 . . . . 10.0 109.681 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.9 mm -75.98 -40.17 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.234 -0.916 . . . . 10.0 109.853 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 t -62.34 -32.55 73.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.43 -0.794 . . . . 10.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -50.95 70.38 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.303 -0.873 . . . . 10.0 109.911 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.47 -24.06 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.476 -0.765 . . . . 10.0 110.392 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.4 -24.9 34.18 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.205 -0.934 . . . . 10.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -56.12 17.43 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.169 -0.957 . . . . 10.0 110.608 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 21' ' ' THR . 3.9 p30 -61.39 -27.88 68.85 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.221 -0.925 . . . . 10.0 109.794 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -77.91 -38.11 46.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.413 -0.805 . . . . 10.0 109.619 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -77.88 -37.89 47.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 10.0 110.363 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 18' ' ' ASP . 1.5 t -60.69 -34.98 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.315 -0.866 . . . . 10.0 110.064 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.848 ' HE3' HD22 ' A' ' 23' ' ' LEU . 69.2 t90 -74.63 -44.02 52.55 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.79 . . . . 10.0 109.119 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.848 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.537 -0.727 . . . . 10.0 110.057 179.686 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -65.13 -28.96 69.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.529 -0.732 . . . . 10.0 110.415 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.01 79.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.261 -0.899 . . . . 10.0 109.741 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -11.91 41.39 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.51 -0.744 . . . . 10.0 110.661 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.75 52.6 6.55 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.502 -0.749 . . . . 10.0 110.221 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttm -107.7 136.61 19.65 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.326 -0.859 . . . . 10.0 110.315 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -75.07 -173.1 1.46 Allowed 'Trans proline' 0 C--N 1.314 -1.284 0 O-C-N 123.877 1.461 . . . . 10.0 110.405 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -84.68 88.77 7.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.311 -0.868 . . . . 10.0 110.03 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.16 -0.924 . . . . 10.0 110.266 -179.825 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.154 0.502 . . . . 10.0 110.419 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.03 -178.04 50.96 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.648 -1.381 . . . . 10.0 109.648 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.51 38.67 28.11 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.721 -0.87 . . . . 10.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -126.99 16.95 7.3 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.217 -0.927 . . . . 10.0 110.903 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.772 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -94.66 -7.29 41.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.002 -1.061 . . . . 10.0 110.607 179.324 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -65.9 -14.07 60.84 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.22 -0.925 . . . . 10.0 110.915 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.36 -42.6 3.3 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.192 -0.943 . . . . 10.0 109.876 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.772 HG22 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tt -64.04 -26.42 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.658 -0.651 . . . . 10.0 110.999 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -71.02 -23.79 62.23 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.181 -0.949 . . . . 10.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.422 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -78.35 -35.73 47.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.865 . . . . 10.0 109.404 179.248 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -64.2 -32.57 74.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.692 . . . . 10.0 109.43 178.819 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.2 mm -89.18 -31.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.189 -0.945 . . . . 10.0 110.272 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.82 -43.04 38.06 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.159 -0.963 . . . . 10.0 110.411 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.3 -45.79 91.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.33 -0.856 . . . . 10.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.05 -31.54 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.393 -0.817 . . . . 10.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 -23.0 30.48 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.298 -0.876 . . . . 10.0 110.172 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -62.31 -53.41 55.43 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.191 -0.943 . . . . 10.0 110.055 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -34.51 73.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.419 -0.801 . . . . 10.0 109.278 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.44 -36.46 60.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.694 -0.629 . . . . 10.0 110.453 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -70.82 -42.91 69.63 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.445 -0.785 . . . . 10.0 110.324 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.1 m -57.09 -42.71 81.26 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.739 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.839 ' HE3' HD22 ' A' ' 23' ' ' LEU . 56.1 t90 -70.6 -44.82 66.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.56 -0.713 . . . . 10.0 109.523 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.839 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -62.1 -37.92 86.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.445 -0.784 . . . . 10.0 110.247 179.659 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -77.09 -38.33 52.61 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.438 -0.789 . . . . 10.0 109.974 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.45 87.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.473 -0.767 . . . . 10.0 109.625 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.0 tmtm? -84.43 -22.86 30.22 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.636 -0.665 . . . . 10.0 110.084 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 64.84 115.32 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 CA-C-O 121.579 0.704 . . . . 10.0 111.065 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.549 ' HB2' HD12 ' A' ' 23' ' ' LEU . 2.9 ttp -99.08 114.41 65.5 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.465 -0.772 . . . . 10.0 110.249 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.93 176.93 8.81 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 O-C-N 123.887 1.467 . . . . 10.0 110.709 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.05 91.5 7.2 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.353 -0.842 . . . . 10.0 109.879 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 117.968 -1.015 . . . . 10.0 110.428 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.194 0.521 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.7 102.23 2.84 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.567 -1.413 . . . . 10.0 109.567 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 52.3 36.69 20.29 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.708 -0.878 . . . . 10.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.535 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 6.1 m95 -134.34 -165.94 1.73 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.388 -0.82 . . . . 10.0 110.186 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.0 mt 65.95 -66.8 0.15 Allowed 'General case' 0 N--CA 1.508 2.429 0 O-C-N 122.114 -0.366 . . . . 10.0 110.633 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.32 -30.93 52.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.415 -0.803 . . . . 10.0 109.995 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.7 -19.71 18.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.558 -0.713 . . . . 10.0 111.11 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 5' ' ' LEU . 3.3 tp -61.32 -29.94 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.082 -1.011 . . . . 10.0 110.582 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -74.89 -37.24 62.17 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.246 -0.908 . . . . 10.0 109.293 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.663 -0.648 . . . . 10.0 109.735 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.44 -38.12 86.03 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.525 -0.734 . . . . 10.0 110.116 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.0 mm -81.09 -39.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.152 -0.967 . . . . 10.0 110.198 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.77 -39.41 91.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 10.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -63.9 -46.75 83.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.277 -0.89 . . . . 10.0 110.165 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.05 -36.94 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.502 -0.749 . . . . 10.0 109.995 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -44.8 79.89 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.426 -0.796 . . . . 10.0 110.378 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -40.31 96.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.381 -0.824 . . . . 10.0 109.763 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.02 -40.92 86.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.606 -0.684 . . . . 10.0 109.224 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.65 -37.86 87.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.674 -0.641 . . . . 10.0 109.877 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -71.93 -42.04 67.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.454 -0.779 . . . . 10.0 109.73 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 m -62.1 -41.34 98.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.61 -0.681 . . . . 10.0 109.617 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.566 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.7 t90 -63.25 -42.94 99.23 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.624 -0.672 . . . . 10.0 109.99 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.68 -38.67 91.99 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.304 -0.873 . . . . 10.0 110.538 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -72.96 -42.38 63.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.408 -0.807 . . . . 10.0 110.356 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.73 63.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.493 -0.754 . . . . 10.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -29.69 63.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.897 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.35 -82.0 0.12 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.187 -0.946 . . . . 10.0 110.299 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 ttt -171.86 113.25 0.4 Allowed Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.109 -0.994 . . . . 10.0 110.466 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.88 170.34 20.61 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.889 1.468 . . . . 10.0 110.415 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -55.11 135.16 49.46 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.422 -0.799 . . . . 10.0 110.653 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.467 -179.725 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 120.824 0.345 . . . . 10.0 110.391 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.92 -168.53 24.25 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.713 -1.355 . . . . 10.0 109.713 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -117.59 54.12 0.91 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.518 -0.989 . . . . 10.0 110.101 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.44 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.04 -142.45 0.14 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.353 -0.842 . . . . 10.0 109.918 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.454 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -51.32 -33.57 29.75 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.238 -0.913 . . . . 10.0 110.383 179.813 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -34.09 59.25 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.511 -0.743 . . . . 10.0 110.295 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.59 -36.02 11.41 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.67 -0.644 . . . . 10.0 109.669 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.2 -30.73 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.579 -0.701 . . . . 10.0 110.68 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.45 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 41.5 m0 -68.14 -43.44 78.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.198 -0.939 . . . . 10.0 109.961 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.89 -39.84 94.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.56 -0.712 . . . . 10.0 110.204 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.52 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.42 -34.58 69.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.39 -0.819 . . . . 10.0 109.843 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.52 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.9 mm -91.57 -33.41 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.181 -0.95 . . . . 10.0 110.345 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.43 -46.25 64.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 10.0 110.268 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -37.13 75.26 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.389 -0.819 . . . . 10.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 p -86.27 -12.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.848 . . . . 10.0 111.639 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -108.55 -30.05 8.45 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.879 -1.138 . . . . 10.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -60.35 -46.13 91.02 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.109 -0.994 . . . . 10.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.75 -30.79 69.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.329 -0.857 . . . . 10.0 109.869 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.66 -40.48 16.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.57 -0.707 . . . . 10.0 110.452 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -44.07 62.92 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.482 -0.761 . . . . 10.0 110.659 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 m -59.36 -43.62 92.82 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.467 -0.771 . . . . 10.0 110.049 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.819 ' HE3' HD22 ' A' ' 23' ' ' LEU . 77.5 t90 -66.62 -43.55 84.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.407 -0.808 . . . . 10.0 109.808 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.819 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -58.13 -39.71 79.42 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 10.0 110.045 179.569 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -69.39 -33.26 72.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 10.0 110.259 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.02 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.494 -0.754 . . . . 10.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -27.41 21.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 10.0 110.53 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 tp -81.31 -51.83 7.95 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.315 -0.866 . . . . 10.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.1 120.25 67.05 Favored Pre-proline 0 N--CA 1.496 1.826 0 O-C-N 121.36 -0.837 . . . . 10.0 110.319 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -75.41 170.14 20.92 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 O-C-N 124.002 1.527 . . . . 10.0 110.58 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.22 116.87 4.17 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.44 -0.787 . . . . 10.0 110.386 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 118.24 -0.886 . . . . 10.0 110.475 -179.547 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 121.017 0.437 . . . . 10.0 110.476 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.43 -136.2 2.87 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.782 -1.327 . . . . 10.0 109.782 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -147.7 -50.57 0.18 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.515 -0.991 . . . . 10.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -75.13 -145.41 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.748 . . . . 10.0 110.122 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.973 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -54.97 -26.7 38.4 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.132 -0.98 . . . . 10.0 111.164 -179.788 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -60.48 -25.8 66.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 10.0 110.818 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -119.17 -29.99 5.08 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.301 -0.874 . . . . 10.0 110.908 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.973 HG22 ' HA ' ' A' ' 5' ' ' LEU . 5.7 tt -65.75 -24.85 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.163 -0.961 . . . . 10.0 111.126 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -32.69 72.78 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.084 -1.01 . . . . 10.0 109.718 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.08 -37.44 82.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.431 -0.793 . . . . 10.0 109.702 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.553 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -54.96 -45.83 74.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.447 -0.783 . . . . 10.0 109.226 178.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.1 mp -84.75 -39.6 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.264 -0.897 . . . . 10.0 110.584 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 t -66.7 -44.29 82.1 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.399 -0.813 . . . . 10.0 111.114 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.63 -44.24 97.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.395 -0.815 . . . . 10.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.94 -37.44 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.507 -0.746 . . . . 10.0 110.143 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -38.28 89.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.493 -0.754 . . . . 10.0 110.283 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.53 88.22 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.434 -0.791 . . . . 10.0 110.164 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.88 -36.2 83.13 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.433 -0.792 . . . . 10.0 109.699 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.61 -14.83 59.54 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.523 -0.736 . . . . 10.0 110.706 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -30.52 10.81 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.089 -1.007 . . . . 10.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 t -61.26 -38.59 87.26 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.46 -0.775 . . . . 10.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.615 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 9.4 p-90 -76.94 -28.91 55.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 10.0 109.965 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.615 HD22 ' CZ2' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -58.42 -45.01 89.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.482 -0.761 . . . . 10.0 109.555 179.347 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -73.07 -36.16 66.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.562 -0.711 . . . . 10.0 109.737 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.18 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.465 -0.772 . . . . 10.0 109.674 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -86.22 -23.52 26.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.492 -0.755 . . . . 10.0 110.017 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 57.19 72.5 0.51 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.555 -0.716 . . . . 10.0 110.583 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -105.47 116.59 59.94 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 121.436 -0.79 . . . . 10.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -76.13 178.31 7.65 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.955 1.502 . . . . 10.0 110.753 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -73.93 112.5 10.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.334 -0.854 . . . . 10.0 109.902 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 117.92 -1.038 . . . . 10.0 110.443 -179.823 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.101 0.477 . . . . 10.0 110.324 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.31 145.71 17.35 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.72 -1.352 . . . . 10.0 109.72 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.716 ' HB2' HD23 ' A' ' 5' ' ' LEU . 4.4 p -130.66 -71.98 0.57 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.482 -1.011 . . . . 10.0 110.2 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 t90 56.54 26.15 10.67 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.623 -0.673 . . . . 10.0 111.719 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 3' ' ' SER . 1.0 OUTLIER -82.16 -14.16 56.09 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.966 -1.084 . . . . 10.0 110.631 179.341 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -6.2 56.29 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.227 -0.921 . . . . 10.0 110.4 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -115.48 -37.96 3.88 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.391 -0.818 . . . . 10.0 109.737 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 5' ' ' LEU . 13.9 tt -66.19 -22.45 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.443 -0.785 . . . . 10.0 110.997 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -63.01 -23.33 67.4 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.313 -0.867 . . . . 10.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.58 -36.71 83.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.243 -0.911 . . . . 10.0 109.456 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.9 -48.15 82.46 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.919 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.6 mp -75.74 -27.31 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.876 . . . . 10.0 110.157 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.1 t -58.23 -45.44 87.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.36 -0.838 . . . . 10.0 110.26 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.76 -45.81 67.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 10.0 109.913 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 50.2 t -62.51 -34.87 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.566 -0.709 . . . . 10.0 110.103 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -32.97 73.98 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.43 -0.794 . . . . 10.0 110.178 179.574 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.498 -0.751 . . . . 10.0 109.731 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 21' ' ' THR . 21.5 m-20 -64.74 -28.32 69.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.523 -0.736 . . . . 10.0 109.809 178.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -87.43 -24.19 24.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.428 -0.795 . . . . 10.0 110.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -93.77 -18.76 21.72 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.336 -0.852 . . . . 10.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 18' ' ' ASP . 13.5 t -55.66 -35.32 65.84 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.239 -0.913 . . . . 10.0 110.084 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.635 ' HE3' HD22 ' A' ' 23' ' ' LEU . 82.4 t90 -70.37 -38.49 74.76 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.448 -0.782 . . . . 10.0 109.563 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.635 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.16 -39.44 78.87 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.525 -0.734 . . . . 10.0 109.597 179.435 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -64.77 -38.86 92.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.498 -0.751 . . . . 10.0 109.544 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -43.57 69.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 10.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.16 65.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 10.0 110.481 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.5 -33.69 73.21 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.447 -0.783 . . . . 10.0 110.487 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.92 116.26 66.21 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.346 -0.846 . . . . 10.0 110.221 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -74.49 -174.51 1.86 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.871 1.458 . . . . 10.0 110.742 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 126.58 27.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.451 -0.781 . . . . 10.0 110.112 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 118.239 -0.886 . . . . 10.0 110.312 -179.752 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 120.912 0.387 . . . . 10.0 110.306 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.24 -70.94 0.04 OUTLIER Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.33 -1.508 . . . . 10.0 109.33 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 7' ' ' ASP . 38.6 m 51.35 60.19 4.05 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.845 -0.797 . . . . 10.0 110.768 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -90.24 -139.85 0.15 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.341 -0.85 . . . . 10.0 109.804 179.849 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.728 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.1 mp -54.22 -27.27 33.37 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.062 -1.024 . . . . 10.0 110.983 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -66.44 -36.47 82.87 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.378 -0.826 . . . . 10.0 110.339 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.54 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 2.6 t0 -97.94 -21.44 16.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.823 . . . . 10.0 110.778 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -77.79 6.41 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.037 -1.039 . . . . 10.0 111.082 179.859 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.494 ' O ' HG22 ' A' ' 12' ' ' ILE . 61.6 t90 -109.99 -47.6 3.31 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.076 -1.015 . . . . 10.0 109.036 178.629 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.06 -38.47 90.9 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.454 -0.779 . . . . 10.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CE2' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -62.98 -23.08 67.26 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.527 -0.733 . . . . 10.0 110.171 179.177 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.571 HD13 ' CE2' ' A' ' 11' ' ' TRP . 1.4 tp -93.68 -18.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.394 -0.816 . . . . 10.0 110.691 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.32 -42.88 14.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.158 -0.964 . . . . 10.0 110.354 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.32 -45.47 80.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 10.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.59 -29.78 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.447 -0.783 . . . . 10.0 109.957 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -37.87 89.05 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.497 -0.752 . . . . 10.0 109.766 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -57.27 -49.84 74.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.735 . . . . 10.0 109.909 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.9 -43.69 69.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.667 -0.646 . . . . 10.0 109.593 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -39.78 71.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.642 -0.661 . . . . 10.0 110.046 179.098 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -63.71 -44.9 92.25 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -0.821 . . . . 10.0 109.923 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -58.59 -40.43 83.2 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.541 -0.724 . . . . 10.0 109.812 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.569 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 53.5 t90 -65.32 -42.72 92.67 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.579 -0.7 . . . . 10.0 109.79 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.569 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.98 -44.04 70.25 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.474 -0.766 . . . . 10.0 110.533 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.06 -39.36 93.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 10.0 110.252 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.06 -35.53 80.05 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.512 -0.742 . . . . 10.0 110.371 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -72.49 -31.51 65.44 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.357 -0.839 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tp -72.88 -47.48 45.66 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.416 -0.802 . . . . 10.0 110.228 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.5 ttm 52.79 62.82 9.52 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.723 -0.61 . . . . 10.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.92 -167.36 0.41 Allowed 'Trans proline' 0 C--N 1.315 -1.214 0 O-C-N 123.703 1.37 . . . . 10.0 110.573 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.94 104.41 1.72 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.267 -0.896 . . . . 10.0 110.099 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.498 1.946 0 CA-C-O 117.935 -1.031 . . . . 10.0 110.44 -179.597 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 120.889 0.376 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.98 -94.58 0.18 Allowed Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.436 -1.466 . . . . 10.0 109.436 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m 55.32 37.41 28.86 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.796 -0.826 . . . . 10.0 110.987 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' HE3' HD11 ' A' ' 8' ' ' ILE . 1.8 t90 66.99 142.68 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.604 0.716 . . . . 10.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 pp -160.99 34.52 0.15 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.417 -0.802 . . . . 10.0 110.608 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.19 -46.74 10.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.213 -0.93 . . . . 10.0 110.023 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -110.1 17.55 20.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.753 . . . . 10.0 110.823 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.533 HD11 ' HE3' ' A' ' 4' ' ' TRP . 1.8 mt -107.01 -36.97 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.16 -0.963 . . . . 10.0 109.855 179.521 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.472 ' CH2' HD13 ' A' ' 5' ' ' LEU . 23.0 m0 -63.89 -44.68 92.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.551 -0.718 . . . . 10.0 110.318 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.45 -41.4 89.58 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.462 -0.774 . . . . 10.0 110.447 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.09 -31.51 71.19 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.51 -0.744 . . . . 10.0 110.477 179.896 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.664 HG23 HD12 ' A' ' 16' ' ' LEU . 3.8 mm -93.23 -42.76 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.1 -1.0 . . . . 10.0 110.607 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -63.83 -35.31 80.2 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.37 -0.832 . . . . 10.0 111.138 -179.551 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.79 -36.52 76.9 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.983 -1.073 . . . . 10.0 110.635 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.9 t -92.1 -22.71 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.403 -0.811 . . . . 10.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.664 HD12 HG23 ' A' ' 12' ' ' ILE . 4.0 mt -89.72 -43.92 10.36 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.995 -1.065 . . . . 10.0 111.14 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -60.92 -47.66 85.39 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.354 -0.841 . . . . 10.0 110.617 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.15 -40.03 84.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.409 -0.807 . . . . 10.0 109.669 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.97 -34.86 78.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.606 -0.684 . . . . 10.0 110.1 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -44.82 68.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.386 -0.821 . . . . 10.0 109.771 179.475 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.52 -39.6 73.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.506 -0.746 . . . . 10.0 109.798 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.562 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 25.6 t90 -59.78 -41.99 92.33 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.538 -0.726 . . . . 10.0 110.129 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.49 -49.99 69.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 10.0 110.658 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -34.47 77.25 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.436 -0.79 . . . . 10.0 110.749 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -23.6 67.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.44 -0.788 . . . . 10.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 2.1 tppt? -108.41 -36.62 6.19 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.122 -0.986 . . . . 10.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.45 -49.99 74.59 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.288 -0.883 . . . . 10.0 110.425 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 tpp 51.77 72.16 1.28 Allowed Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.651 -0.655 . . . . 10.0 110.622 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.69 173.44 11.8 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 O-C-N 123.705 1.371 . . . . 10.0 110.752 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -39.07 70.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.373 -0.829 . . . . 10.0 110.624 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.141 0 CA-C-O 118.043 -0.98 . . . . 10.0 110.809 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.063 0.459 . . . . 10.0 110.291 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.83 74.21 0.72 Allowed Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.614 -1.394 . . . . 10.0 109.614 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -92.03 -42.37 10.01 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.427 -1.043 . . . . 10.0 110.772 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -100.92 27.23 6.16 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.263 -0.898 . . . . 10.0 111.077 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 tp -88.97 -8.13 54.71 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.013 -1.055 . . . . 10.0 110.827 179.566 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -15.07 44.64 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.232 -0.918 . . . . 10.0 110.463 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' HA ' ' OD1' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -122.85 12.39 9.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.419 -0.8 . . . . 10.0 110.382 179.513 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 5' ' ' LEU . 6.2 tt -107.5 -34.15 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.12 -0.987 . . . . 10.0 110.709 179.364 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.407 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -72.62 -43.88 62.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.356 -0.84 . . . . 10.0 109.371 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 p-10 -55.48 -36.78 67.01 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.611 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -65.2 -51.01 63.66 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.52 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.71 -32.07 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.607 -0.683 . . . . 10.0 110.58 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -66.45 -38.24 86.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 10.0 110.199 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.05 -46.27 78.38 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.612 -0.68 . . . . 10.0 109.928 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.81 -29.26 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.654 -0.653 . . . . 10.0 110.257 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -28.84 42.7 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.36 -0.838 . . . . 10.0 110.103 179.39 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -48.7 72.37 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.334 -0.854 . . . . 10.0 110.08 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.506 ' O ' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -66.1 -23.16 66.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.295 -0.878 . . . . 10.0 109.941 179.084 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -38.13 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.418 -0.801 . . . . 10.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -79.98 -32.5 39.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.584 -0.698 . . . . 10.0 110.77 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 18' ' ' ASP . 6.1 t -56.98 -34.7 68.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.27 -0.894 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.562 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.9 t90 -66.86 -41.28 87.59 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.412 -0.805 . . . . 10.0 109.677 179.249 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -66.52 -42.17 87.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.449 -0.782 . . . . 10.0 110.284 179.64 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -41.63 84.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.538 -0.726 . . . . 10.0 110.402 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.48 73.88 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 10.0 110.479 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -43.23 18.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.372 -0.83 . . . . 10.0 110.105 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.99 -39.08 76.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.508 -0.745 . . . . 10.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.2 ttp -113.68 96.84 42.21 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.462 -0.774 . . . . 10.0 110.145 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.52 -172.36 1.28 Allowed 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 123.941 1.495 . . . . 10.0 110.799 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.84 143.18 58.05 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.353 -0.842 . . . . 10.0 110.747 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.264 -0.874 . . . . 10.0 110.509 -179.791 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 120.983 0.42 . . . . 10.0 110.317 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.02 128.47 7.06 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.625 -1.39 . . . . 10.0 109.625 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -152.25 -54.71 0.13 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.444 -1.033 . . . . 10.0 110.476 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -135.82 134.08 38.52 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.377 -0.827 . . . . 10.0 109.9 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 8' ' ' ILE . 3.6 mm? -110.29 -26.02 9.81 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.508 -0.745 . . . . 10.0 110.994 -179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.23 -21.01 66.28 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.135 -0.978 . . . . 10.0 111.092 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -105.75 -19.87 13.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 10.0 111.116 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.701 HG21 HD13 ' A' ' 5' ' ' LEU . 11.7 tt -66.3 -17.63 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.185 -0.947 . . . . 10.0 111.412 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -35.96 82.05 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.028 -1.045 . . . . 10.0 109.642 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.28 -37.1 61.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.677 -0.639 . . . . 10.0 110.137 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.57 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -60.2 -49.62 76.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 10.0 109.27 178.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' HA ' HG12 ' A' ' 15' ' ' VAL . 2.6 mp -77.26 -29.29 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.364 -0.835 . . . . 10.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.6 t -59.39 -39.48 83.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.282 -0.886 . . . . 10.0 110.149 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.27 -56.58 10.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.512 -0.743 . . . . 10.0 110.068 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 12' ' ' ILE . 10.5 p -62.22 -29.17 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.398 -0.814 . . . . 10.0 110.359 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 3.6 tt -62.18 -41.08 97.98 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.232 -0.918 . . . . 10.0 109.401 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -64.39 -37.91 89.18 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.606 -0.684 . . . . 10.0 109.372 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -61.74 -43.98 97.8 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 178.301 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -61.76 -35.52 78.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.678 -0.639 . . . . 10.0 109.506 178.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -38.38 90.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.397 -0.814 . . . . 10.0 109.09 178.622 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -63.49 -40.43 97.07 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.629 ' CE3' HD22 ' A' ' 23' ' ' LEU . 82.7 t90 -66.43 -40.1 89.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 10.0 109.269 178.604 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.629 HD22 ' CE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -56.77 -38.11 72.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.567 -0.708 . . . . 10.0 109.538 179.251 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.8 89.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 10.0 109.139 178.667 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.75 84.58 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -66.93 -32.75 74.2 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.573 -0.704 . . . . 10.0 109.453 178.753 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 27' ' ' LEU . 1.3 tm? -73.9 -46.11 46.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.533 -0.729 . . . . 10.0 109.643 179.221 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.86 117.52 54.45 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.641 -0.662 . . . . 10.0 110.377 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -77.02 -174.34 2.15 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.974 1.513 . . . . 10.0 110.593 179.818 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 76.77 6.26 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.256 -0.903 . . . . 10.0 109.759 179.643 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.956 -1.021 . . . . 10.0 110.563 -179.64 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.877 0.37 . . . . 10.0 110.338 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -74.92 95.5 0.92 Allowed Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -91.79 -49.57 6.19 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.464 -1.021 . . . . 10.0 110.319 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.77 -165.17 1.98 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.482 -0.761 . . . . 10.0 110.22 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 8' ' ' ILE . 1.2 mp 59.52 21.81 10.34 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.674 -0.641 . . . . 10.0 111.596 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -35.12 11.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.18 -0.95 . . . . 10.0 109.506 179.017 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.44 -20.05 18.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.702 -0.624 . . . . 10.0 110.138 179.244 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.521 HG21 ' HG ' ' A' ' 5' ' ' LEU . 13.8 tt -61.6 -25.93 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.318 -0.864 . . . . 10.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -57.09 -35.47 69.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.272 -0.892 . . . . 10.0 110.529 -179.682 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.64 -39.23 57.73 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 10.0 110.331 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.544 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -60.18 -53.25 59.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.609 -0.682 . . . . 10.0 109.765 179.387 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.68 -30.52 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.449 -0.782 . . . . 10.0 110.269 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.63 -39.07 79.47 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.416 -0.802 . . . . 10.0 110.026 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -67.56 -48.72 66.11 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 10.0 109.686 179.257 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.84 -35.19 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.603 -0.686 . . . . 10.0 109.74 179.206 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.79 -26.21 66.85 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.49 -0.756 . . . . 10.0 110.078 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.425 -0.797 . . . . 10.0 109.726 179.224 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.83 -42.26 97.39 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.998 -0.742 . . . . 10.0 108.998 178.904 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.35 -35.76 80.04 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.732 -0.605 . . . . 10.0 109.737 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -61.82 -42.34 98.9 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.42 -0.8 . . . . 10.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 m -66.42 -42.69 87.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.604 -0.685 . . . . 10.0 109.692 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -62.43 -42.93 99.81 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.586 -0.696 . . . . 10.0 109.811 179.302 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 23' ' ' LEU . 4.6 tp -71.77 -37.92 70.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.543 -0.723 . . . . 10.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -70.42 -33.85 71.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.284 -0.885 . . . . 10.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.69 85.08 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.461 -0.774 . . . . 10.0 110.212 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -22.64 31.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.457 -0.777 . . . . 10.0 110.489 179.628 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.48 113.22 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.799 -0.563 . . . . 10.0 110.472 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.468 ' SD ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER 67.89 120.24 0.03 OUTLIER Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.816 -0.553 . . . . 10.0 110.74 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD2' ' SD ' ' A' ' 28' ' ' MET . 45.8 Cg_endo -71.28 -168.46 0.34 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 O-C-N 123.798 1.42 . . . . 10.0 110.796 179.625 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 81.87 8.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.323 -0.861 . . . . 10.0 109.83 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 117.928 -1.034 . . . . 10.0 110.545 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 120.777 0.322 . . . . 10.0 110.44 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.27 114.74 0.31 Allowed Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.113 -1.195 . . . . 10.0 110.113 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 7' ' ' ASP . 11.1 t -161.39 -76.63 0.05 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.605 -0.938 . . . . 10.0 109.963 179.651 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.497 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -160.05 -150.44 0.22 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.505 -0.747 . . . . 10.0 109.903 179.756 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -56.71 -27.82 59.81 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.262 -0.899 . . . . 10.0 110.973 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -28.43 68.21 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.213 -0.929 . . . . 10.0 109.804 179.044 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.421 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 8.7 t70 -100.47 -32.55 10.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.823 -0.548 . . . . 10.0 110.202 179.633 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.503 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 1.2 tt -59.63 -37.19 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.487 -0.758 . . . . 10.0 110.487 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -35.37 80.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.969 -1.082 . . . . 10.0 109.301 178.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.49 -41.88 92.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.744 -0.597 . . . . 10.0 109.827 179.06 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.626 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -63.58 -33.84 76.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 10.0 109.789 179.549 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.8 mm -79.97 -14.44 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 10.0 110.684 179.121 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t -94.04 -10.48 33.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.985 -1.072 . . . . 10.0 111.456 -179.792 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -102.25 -55.07 2.55 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.996 -1.065 . . . . 10.0 110.66 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.626 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 80.7 t -57.54 -37.42 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.51 -0.744 . . . . 10.0 110.834 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.37 -42.53 75.06 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.369 -0.832 . . . . 10.0 110.197 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 -40.55 83.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.466 -0.771 . . . . 10.0 109.649 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.84 -38.11 89.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.48 -0.763 . . . . 10.0 109.331 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.81 -39.33 61.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.625 -0.672 . . . . 10.0 110.196 179.302 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -68.39 -48.68 64.06 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.278 -0.889 . . . . 10.0 109.656 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.4 m -61.5 -41.15 96.86 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.587 -0.696 . . . . 10.0 109.83 179.35 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.503 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 12.7 t90 -65.81 -38.79 89.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 10.0 110.254 179.497 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -60.37 -47.98 83.72 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.362 -0.836 . . . . 10.0 110.264 -179.81 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -37.38 78.43 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 10.0 109.877 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.458 -0.776 . . . . 10.0 109.942 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.01 44.93 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.564 -0.71 . . . . 10.0 110.106 179.475 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 27' ' ' LEU . 72.6 mt -95.29 -144.11 0.26 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.344 -0.848 . . . . 10.0 110.039 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.645 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 17.0 ttt -173.21 -58.7 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.115 -0.991 . . . . 10.0 110.778 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 47.5 Cg_endo -71.42 79.77 1.43 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 O-C-N 123.341 1.18 . . . . 10.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.16 58.52 0.24 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.446 -0.784 . . . . 10.0 109.801 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 117.92 -1.038 . . . . 10.0 110.458 -179.726 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 120.9 0.381 . . . . 10.0 110.515 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.49 150.79 26.02 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.75 -1.34 . . . . 10.0 109.75 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.08 43.79 23.68 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.685 -0.891 . . . . 10.0 110.642 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.469 ' HE3' ' HB3' ' A' ' 7' ' ' ASP . 61.7 p-90 -76.98 118.33 19.46 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.287 -0.883 . . . . 10.0 110.533 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.484 ' O ' HG22 ' A' ' 8' ' ' ILE . 4.5 tp -123.66 -26.08 4.22 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.511 -0.743 . . . . 10.0 111.234 -179.224 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.4 74.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.968 -1.082 . . . . 10.0 110.079 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.469 ' HB3' ' HE3' ' A' ' 4' ' ' TRP . 23.6 t70 -79.55 -38.94 33.01 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.561 -0.712 . . . . 10.0 110.394 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 5' ' ' LEU . 6.5 tt -71.7 -26.69 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.218 -0.927 . . . . 10.0 110.649 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -60.09 -38.07 81.81 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.3 -0.875 . . . . 10.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.76 -39.36 68.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.564 -0.71 . . . . 10.0 110.213 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.28 -49.89 75.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.62 -0.675 . . . . 10.0 109.507 179.132 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 10.0 110.044 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -57.71 -42.18 83.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.465 -0.772 . . . . 10.0 110.203 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -47.23 82.72 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.477 -0.764 . . . . 10.0 109.691 179.314 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.99 -35.63 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.651 -0.655 . . . . 10.0 109.707 179.229 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.16 -42.43 80.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.503 -0.748 . . . . 10.0 109.777 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 10.0 109.511 179.081 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -41.1 87.88 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.805 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.57 -36.76 79.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.68 -0.638 . . . . 10.0 110.043 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.427 -0.796 . . . . 10.0 109.761 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.0 m -66.0 -39.9 90.69 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.576 -0.703 . . . . 10.0 109.517 179.017 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.592 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 45.7 t90 -65.53 -46.54 79.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.646 -0.659 . . . . 10.0 109.567 179.305 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -66.54 -44.17 83.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.48 -0.762 . . . . 10.0 109.982 179.69 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -60.98 -37.4 82.31 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.509 -0.744 . . . . 10.0 109.923 179.399 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.537 ' HA ' ' HG2' ' A' ' 29' ' ' PRO . . . -75.18 -35.59 61.56 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.527 -0.733 . . . . 10.0 110.233 179.281 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -80.53 -6.87 58.85 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.276 -0.89 . . . . 10.0 110.976 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.16 -45.14 4.79 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.104 -0.997 . . . . 10.0 110.973 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.616 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 3.6 mtt -91.93 -67.65 0.11 Allowed Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.208 -0.933 . . . . 10.0 110.782 -179.453 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.616 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 52.0 Cg_endo -78.81 56.93 6.17 Favored 'Trans proline' 0 N--CA 1.487 1.088 0 O-C-N 123.113 1.06 . . . . 10.0 110.622 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -155.87 99.91 2.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.317 -0.864 . . . . 10.0 109.893 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 118.286 -0.864 . . . . 10.0 110.201 -179.857 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 121.114 0.483 . . . . 10.0 110.475 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.64 79.42 0.07 OUTLIER Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.529 -1.428 . . . . 10.0 109.529 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 m -90.24 -48.64 7.03 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.485 -1.009 . . . . 10.0 110.501 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.63 162.3 38.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.45 -0.781 . . . . 10.0 110.126 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -129.09 -21.45 3.28 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.481 -0.762 . . . . 10.0 111.916 -179.413 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 ttm105 -68.03 -19.73 64.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.006 -1.059 . . . . 10.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.85 -30.51 8.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 10.0 111.238 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.52 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -60.58 -34.93 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.102 -0.999 . . . . 10.0 110.536 -179.681 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.446 ' CZ3' HD12 ' A' ' 5' ' ' LEU . 25.0 m0 -79.75 -33.29 40.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.208 -0.932 . . . . 10.0 109.35 178.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.9 -38.36 88.05 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.616 -0.678 . . . . 10.0 110.034 179.17 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.521 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -56.14 -33.97 65.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.509 -0.744 . . . . 10.0 109.992 179.476 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 11' ' ' TRP . 2.6 mm -94.14 -39.16 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.154 -0.966 . . . . 10.0 110.158 179.234 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.18 -43.25 74.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.437 -0.789 . . . . 10.0 110.889 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.28 -46.53 83.29 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.377 -0.827 . . . . 10.0 110.357 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.1 t -58.1 -36.6 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.373 -0.83 . . . . 10.0 110.235 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -40.08 33.85 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -0.774 . . . . 10.0 109.977 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 7.8 t -64.69 -41.02 96.34 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.41 -0.806 . . . . 10.0 110.365 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -30.73 71.34 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.24 -0.912 . . . . 10.0 109.626 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -78.08 -38.63 43.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.493 -0.754 . . . . 10.0 110.411 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -63.55 -28.35 69.88 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.383 -0.823 . . . . 10.0 110.671 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.525 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 83.3 m -82.91 -37.58 24.03 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.233 -0.917 . . . . 10.0 109.376 179.225 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.565 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 19.5 t90 -64.36 -40.96 96.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.561 -0.712 . . . . 10.0 109.559 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.95 -47.44 80.44 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.498 -0.751 . . . . 10.0 110.107 179.694 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -64.69 -45.88 84.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.559 -0.713 . . . . 10.0 109.61 179.34 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.93 94.85 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.655 -0.653 . . . . 10.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -60.63 -36.35 78.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.484 -0.76 . . . . 10.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -52.15 9.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.638 -0.664 . . . . 10.0 110.018 179.445 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.6 ptm -166.52 125.68 1.13 Allowed Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.631 -0.668 . . . . 10.0 110.512 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -73.99 -173.66 1.48 Allowed 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.667 1.351 . . . . 10.0 110.658 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -78.77 80.26 5.13 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.321 -0.862 . . . . 10.0 109.969 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 118.222 -0.894 . . . . 10.0 110.347 -179.745 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 120.988 0.423 . . . . 10.0 110.276 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 107.04 129.57 6.23 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.562 -1.415 . . . . 10.0 109.562 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -151.93 -60.74 0.16 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.449 -1.03 . . . . 10.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.527 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 2.7 m95 -109.67 -158.66 0.65 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.273 -0.892 . . . . 10.0 110.522 -179.582 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.617 ' HA ' HG22 ' A' ' 8' ' ' ILE . 3.5 mm? 68.07 -62.6 0.35 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.84 -0.538 . . . . 10.0 110.666 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -24.57 53.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.178 -0.951 . . . . 10.0 110.017 178.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -101.29 -35.23 9.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.462 -0.774 . . . . 10.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.617 HG22 ' HA ' ' A' ' 5' ' ' LEU . 10.4 tt -63.39 -31.93 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.134 -0.979 . . . . 10.0 110.332 179.728 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.45 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 44.2 m0 -64.62 -37.63 88.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.407 -0.808 . . . . 10.0 109.659 179.531 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.98 -40.32 76.3 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.731 -0.606 . . . . 10.0 109.633 179.066 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.566 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.53 -49.93 74.74 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 179.136 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.4 mt -73.62 -26.81 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.44 -0.788 . . . . 10.0 109.86 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.79 -46.5 81.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.419 -0.8 . . . . 10.0 110.235 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -45.69 65.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 109.885 179.347 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.01 -34.35 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.506 -0.746 . . . . 10.0 110.409 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -85.23 -27.47 26.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.421 -0.799 . . . . 10.0 110.757 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.4 t -59.35 -49.05 79.29 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.335 -0.853 . . . . 10.0 110.665 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -56.34 -39.47 72.89 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.311 -0.868 . . . . 10.0 109.557 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' O ' HD23 ' A' ' 23' ' ' LEU . 31.6 t80 -64.87 -30.81 71.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.612 -0.68 . . . . 10.0 109.842 178.841 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.3 tptp -84.75 -30.12 24.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 10.0 110.237 179.474 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -53.81 -48.75 69.57 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.336 -0.853 . . . . 10.0 109.193 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.658 ' HE3' HD22 ' A' ' 23' ' ' LEU . 80.6 t90 -70.39 -39.19 74.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.491 -0.756 . . . . 10.0 108.982 178.489 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.658 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.9 -35.11 72.49 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.646 -0.659 . . . . 10.0 109.698 179.132 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -68.51 -34.48 75.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.379 -0.826 . . . . 10.0 109.903 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.48 -47.02 77.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.422 -0.799 . . . . 10.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.96 -19.85 53.78 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.359 -0.838 . . . . 10.0 111.231 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.41 -44.25 9.76 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.017 -1.052 . . . . 10.0 110.132 179.605 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.3 ttp 54.71 67.33 3.36 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.624 -0.672 . . . . 10.0 110.892 179.655 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -75.64 165.02 31.16 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 O-C-N 123.82 1.432 . . . . 10.0 110.281 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.87 147.03 54.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.434 -0.791 . . . . 10.0 110.461 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.87 -1.062 . . . . 10.0 110.507 -179.844 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.021 0.439 . . . . 10.0 110.352 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.29 62.2 0.01 OUTLIER Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.001 -1.24 . . . . 10.0 110.001 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 51.29 38.14 20.63 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.69 -0.888 . . . . 10.0 111.18 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.18 -162.73 1.18 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.376 -0.827 . . . . 10.0 109.931 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.3 OUTLIER 57.06 29.04 15.83 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.736 -0.603 . . . . 10.0 111.303 179.869 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -96.14 -40.63 9.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.212 -0.93 . . . . 10.0 109.6 179.045 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.16 -18.97 18.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 10.0 110.34 179.424 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.508 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 15.8 tt -62.4 -28.84 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.265 -0.897 . . . . 10.0 110.741 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -74.53 -41.23 60.98 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.189 -0.944 . . . . 10.0 109.583 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.15 -46.38 87.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.615 -0.678 . . . . 10.0 110.254 179.765 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -59.64 -36.78 77.06 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.543 -0.723 . . . . 10.0 109.978 179.746 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.1 mm -71.7 -37.78 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.302 -0.874 . . . . 10.0 109.847 179.265 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.98 -35.68 81.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.586 -0.696 . . . . 10.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -42.17 89.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.538 -0.726 . . . . 10.0 109.914 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.1 t -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.5 -0.75 . . . . 10.0 109.681 179.015 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -42.51 96.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.445 -0.785 . . . . 10.0 110.489 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -63.26 -40.12 96.53 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.432 -0.792 . . . . 10.0 109.651 179.476 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -41.07 96.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 10.0 109.185 178.547 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -70.37 -36.85 74.39 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.674 -0.642 . . . . 10.0 109.608 178.788 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -43.88 92.16 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.63 -0.669 . . . . 10.0 109.641 179.225 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.6 m -61.42 -43.62 98.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.566 -0.709 . . . . 10.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.802 ' HE3' HD22 ' A' ' 23' ' ' LEU . 89.1 t90 -66.23 -38.88 88.96 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.623 -0.673 . . . . 10.0 109.784 179.072 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.802 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.36 -37.46 87.12 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.449 -0.782 . . . . 10.0 110.184 179.455 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -41.28 98.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.445 -0.785 . . . . 10.0 109.895 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.6 84.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.584 -0.698 . . . . 10.0 110.033 179.432 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -87.11 -6.21 58.75 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.464 -0.773 . . . . 10.0 110.716 179.45 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 70.48 118.38 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.714 -0.616 . . . . 10.0 110.646 -179.806 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.748 ' HG2' HD12 ' A' ' 23' ' ' LEU . 52.7 mtm -90.0 114.59 61.37 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.499 -0.751 . . . . 10.0 110.57 -179.818 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -75.99 -174.61 2.13 Favored 'Trans proline' 0 C--N 1.315 -1.192 0 O-C-N 123.792 1.417 . . . . 10.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -70.49 106.8 3.57 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.314 -0.866 . . . . 10.0 109.995 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.015 -0.993 . . . . 10.0 110.286 -179.822 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.3 m . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 120.852 0.358 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.8 -125.59 2.7 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.59 -1.404 . . . . 10.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -132.01 -49.17 0.94 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.611 -0.935 . . . . 10.0 110.713 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -154.07 -159.01 0.92 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.424 -0.797 . . . . 10.0 110.217 -179.679 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.588 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER 71.05 -58.39 0.57 Allowed 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.724 -0.61 . . . . 10.0 110.704 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.98 -28.16 55.87 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.458 -0.776 . . . . 10.0 110.38 179.519 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.48 -31.3 11.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.385 -0.822 . . . . 10.0 110.451 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 5' ' ' LEU . 2.8 tp -68.93 -31.58 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.042 -1.036 . . . . 10.0 110.146 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -79.05 -39.69 33.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.241 -0.912 . . . . 10.0 109.033 178.744 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -41.62 96.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 10.0 110.175 179.418 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.1 -38.49 91.4 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.561 -0.712 . . . . 10.0 109.887 179.618 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 3.7 mm -68.87 -33.83 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.276 -0.89 . . . . 10.0 109.765 179.031 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -37.01 81.81 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.856 . . . . 10.0 110.087 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.96 -46.8 88.26 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.567 -0.708 . . . . 10.0 109.799 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -76.52 -24.51 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 110.107 179.283 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 1.1 tt -62.41 -46.47 88.42 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.337 -0.852 . . . . 10.0 110.315 179.704 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 p -64.12 -40.77 96.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.424 -0.798 . . . . 10.0 109.761 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -37.05 82.31 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.656 -0.653 . . . . 10.0 109.346 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.48 -38.76 77.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.718 . . . . 10.0 110.076 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.418 -0.801 . . . . 10.0 109.731 179.366 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -59.91 -40.98 90.67 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.622 -0.674 . . . . 10.0 109.79 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.831 ' HE3' HD22 ' A' ' 23' ' ' LEU . 86.9 t90 -62.82 -39.93 95.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 10.0 109.781 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.831 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -61.03 -46.22 91.61 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.509 -0.744 . . . . 10.0 109.777 179.348 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -63.5 -28.7 70.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.532 -0.73 . . . . 10.0 110.403 179.571 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 22' ' ' TRP . . . -57.24 -35.66 69.98 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.237 -0.914 . . . . 10.0 109.929 179.428 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.91 -34.38 9.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.508 -0.745 . . . . 10.0 110.133 179.269 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.52 -167.09 1.71 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.383 -0.823 . . . . 10.0 110.623 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.551 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 1.3 mtm -165.31 -60.83 0.01 OUTLIER Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.503 -0.748 . . . . 10.0 110.222 179.589 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 53.6 Cg_endo -79.6 60.49 7.84 Favored 'Trans proline' 0 N--CA 1.487 1.137 0 O-C-N 123.367 1.193 . . . . 10.0 110.49 179.52 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -159.66 49.28 0.31 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.165 -0.959 . . . . 10.0 110.316 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 31' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.853 -1.07 . . . . 10.0 110.323 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.655 ' HA ' HD12 ' A' ' 5' ' ' LEU . 31.0 t . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 120.772 0.32 . . . . 10.0 110.357 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.04 54.42 33.21 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.548 -1.421 . . . . 10.0 109.548 -179.869 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 m 54.49 39.18 30.88 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.813 -0.816 . . . . 10.0 110.883 -179.764 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.516 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -157.01 -157.13 0.66 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.376 -0.828 . . . . 10.0 110.203 179.786 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 1' ' ' SER . 0.3 OUTLIER 74.63 -43.1 0.51 Allowed 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.991 -0.443 . . . . 10.0 111.123 -179.743 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -64.23 -14.31 54.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.998 -1.064 . . . . 10.0 110.399 178.991 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -98.12 -39.33 8.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.384 -0.823 . . . . 10.0 109.871 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 5' ' ' LEU . 12.8 tt -61.28 -27.32 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 10.0 110.672 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.488 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 46.3 m0 -64.75 -46.09 83.65 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.195 -0.94 . . . . 10.0 109.529 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -45.37 78.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.711 -0.618 . . . . 10.0 109.743 179.086 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -61.31 -50.03 74.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.763 -0.585 . . . . 10.0 109.614 179.175 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 12' ' ' ILE . 28.9 mm -78.62 2.1 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.297 -0.877 . . . . 10.0 111.441 -179.479 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -110.25 -46.13 3.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.86 -1.15 . . . . 10.0 109.882 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -44.74 21.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.519 -0.738 . . . . 10.0 110.502 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.39 -28.94 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.257 -0.902 . . . . 10.0 110.082 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -21.77 30.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 10.0 110.452 179.524 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -64.16 -61.93 1.94 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.169 -0.957 . . . . 10.0 110.128 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -56.85 -27.28 60.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.343 -0.848 . . . . 10.0 110.256 179.508 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -79.89 -34.54 39.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.302 -0.874 . . . . 10.0 110.432 179.312 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -85.28 -42.03 15.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.246 -0.909 . . . . 10.0 110.458 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.7 m -55.16 -46.54 75.74 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.476 -0.765 . . . . 10.0 109.963 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.817 ' HE3' HD22 ' A' ' 23' ' ' LEU . 75.6 t90 -65.18 -43.53 91.4 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.507 -0.746 . . . . 10.0 109.68 179.179 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -60.54 -41.46 94.53 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.511 -0.743 . . . . 10.0 110.099 179.547 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -60.15 -41.25 92.34 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.504 -0.747 . . . . 10.0 110.19 179.621 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.37 80.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.746 . . . . 10.0 110.255 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -79.86 -27.11 40.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.386 -0.822 . . . . 10.0 110.771 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -40.23 80.82 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.374 -0.829 . . . . 10.0 110.654 -179.748 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 37.8 mtm 53.32 77.38 0.45 Allowed Pre-proline 0 N--CA 1.501 2.1 0 O-C-N 121.698 -0.626 . . . . 10.0 110.643 -179.82 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -74.65 64.63 5.73 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.925 1.487 . . . . 10.0 110.98 -179.804 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -159.75 35.38 0.19 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.249 -0.907 . . . . 10.0 110.45 179.819 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 118.147 -0.93 . . . . 10.0 110.336 -179.783 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.242 0.544 . . . . 10.0 110.137 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.0 84.28 0.42 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.602 -1.399 . . . . 10.0 109.602 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -133.56 -69.77 0.54 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.434 -1.039 . . . . 10.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.553 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -163.6 -146.48 0.1 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.235 -0.915 . . . . 10.0 110.445 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.695 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 pt? -60.01 -26.84 66.4 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.268 -0.895 . . . . 10.0 110.923 -179.641 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 1.1 mtt85 -76.05 -2.38 30.43 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.338 -0.851 . . . . 10.0 109.986 178.793 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.56 -39.69 2.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.481 -0.762 . . . . 10.0 109.332 179.332 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.695 HG22 ' HA ' ' A' ' 5' ' ' LEU . 10.0 tt -65.06 -33.28 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.59 -0.694 . . . . 10.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -63.54 -24.29 67.75 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.31 -34.13 77.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.311 178.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -68.75 -48.56 63.44 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.708 -0.62 . . . . 10.0 110.062 179.469 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.407 HG13 ' CD2' ' A' ' 11' ' ' TRP . 3.2 mt -72.81 -48.26 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.333 -0.854 . . . . 10.0 110.394 -179.486 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -58.19 -42.31 85.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.622 -0.674 . . . . 10.0 110.484 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.73 -51.35 68.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.637 -0.665 . . . . 10.0 109.913 179.628 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.88 -32.29 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.475 -0.766 . . . . 10.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -37.67 86.94 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.505 -0.747 . . . . 10.0 110.424 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -60.55 -45.39 94.07 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.451 -0.78 . . . . 10.0 109.74 179.542 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.45 -44.15 97.62 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.543 -0.723 . . . . 10.0 109.116 178.781 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -66.67 -34.1 77.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.781 -0.574 . . . . 10.0 110.404 179.388 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.98 92.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.389 -0.819 . . . . 10.0 110.033 179.823 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -68.07 -41.83 81.35 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.461 -0.774 . . . . 10.0 109.653 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.875 ' HE3' HD22 ' A' ' 23' ' ' LEU . 66.1 t90 -64.4 -44.07 92.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.566 -0.709 . . . . 10.0 110.057 179.506 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.875 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -63.26 -42.5 99.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.453 -0.779 . . . . 10.0 110.2 179.807 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -60.84 -41.37 95.66 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.434 -0.791 . . . . 10.0 110.535 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -23.55 66.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.446 -0.784 . . . . 10.0 110.824 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HD2' ' CH2' ' A' ' 22' ' ' TRP . 4.0 mttp -105.75 -18.14 14.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.323 -0.861 . . . . 10.0 110.853 179.807 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -73.3 -41.62 63.36 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.229 -0.92 . . . . 10.0 110.617 -179.931 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.45 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -59.08 -54.2 58.83 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.398 -0.814 . . . . 10.0 110.608 179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' C ' ' HG2' ' A' ' 30' ' ' GLN . 49.8 Cg_endo -76.04 -172.52 1.37 Allowed 'Trans proline' 0 N--CA 1.488 1.19 0 O-C-N 123.572 1.301 . . . . 10.0 110.433 179.609 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' HG2' ' C ' ' A' ' 29' ' ' PRO . 3.4 pt20 31.02 61.38 0.23 Allowed 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 121.294 0.568 . . . . 10.0 111.843 179.734 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 117.851 -1.071 . . . . 10.0 110.457 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.016 0.436 . . . . 10.0 110.409 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.45 -150.35 40.03 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.824 -1.31 . . . . 10.0 109.824 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -127.86 -62.86 1.05 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.469 -1.018 . . . . 10.0 110.439 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.59 -169.05 2.88 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.275 -0.891 . . . . 10.0 110.54 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.693 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -72.63 67.74 0.79 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.36 0.6 . . . . 10.0 110.564 179.759 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -73.46 -37.36 65.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.388 -0.82 . . . . 10.0 109.62 179.102 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.36 -20.15 60.19 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.674 -0.641 . . . . 10.0 110.449 179.263 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.693 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -52.44 -35.71 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.405 -0.809 . . . . 10.0 110.539 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -79.55 -40.39 29.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 10.0 109.196 179.308 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.88 -41.77 97.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.594 -0.691 . . . . 10.0 109.864 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.43 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -62.71 -36.79 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.714 . . . . 10.0 109.675 179.395 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.628 ' HA ' HG12 ' A' ' 15' ' ' VAL . 4.2 mm -75.46 -33.48 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.249 -0.907 . . . . 10.0 109.953 179.014 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.84 -19.95 66.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 10.0 110.674 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -99.6 -14.73 18.86 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.37 -0.831 . . . . 10.0 110.96 179.682 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 12' ' ' ILE . 2.6 p -105.06 -0.82 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.102 -0.999 . . . . 10.0 111.34 -179.758 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -107.92 -37.11 6.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.942 -1.099 . . . . 10.0 111.231 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -57.14 -51.72 68.17 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.292 -0.88 . . . . 10.0 110.594 -179.508 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.6 -31.88 66.64 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.375 -0.828 . . . . 10.0 110.088 179.267 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -83.8 -12.19 55.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.516 -0.74 . . . . 10.0 110.873 179.508 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -109.68 3.62 21.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.112 -0.992 . . . . 10.0 110.76 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.7 m -99.16 -39.49 8.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.208 -0.932 . . . . 10.0 110.29 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.477 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.2 p-90 -64.22 -26.04 68.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.227 -0.921 . . . . 10.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.185 -0.947 . . . . 10.0 109.649 178.826 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.0 36.69 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.678 -0.639 . . . . 10.0 109.76 179.339 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.87 92.52 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.418 -0.801 . . . . 10.0 110.163 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -20.52 29.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.439 -0.788 . . . . 10.0 110.375 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.12 80.97 0.2 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.558 -0.713 . . . . 10.0 110.285 -179.675 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 29.9 ttm -99.52 127.6 33.81 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.407 -0.808 . . . . 10.0 110.078 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.23 -174.81 1.71 Allowed 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.935 1.492 . . . . 10.0 110.582 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.91 108.08 2.89 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.319 -0.863 . . . . 10.0 109.969 179.761 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 117.906 -1.045 . . . . 10.0 110.513 -179.724 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 121.107 0.48 . . . . 10.0 110.471 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.4 111.08 3.23 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.431 -1.467 . . . . 10.0 109.431 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 p -132.12 -71.41 0.55 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.476 -1.014 . . . . 10.0 110.771 -179.844 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -145.14 -149.86 0.3 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.323 -0.861 . . . . 10.0 110.151 -179.701 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 4' ' ' TRP . 2.1 mp 57.32 32.69 22.16 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.548 -0.72 . . . . 10.0 111.257 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -98.06 -40.3 8.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.261 -0.899 . . . . 10.0 109.709 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -19.86 17.99 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.618 -0.676 . . . . 10.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.429 ' O ' HD12 ' A' ' 12' ' ' ILE . 8.2 tt -59.53 -34.04 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.155 -0.966 . . . . 10.0 110.347 179.779 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.6 m0 -67.03 -37.82 84.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.39 -0.819 . . . . 10.0 109.193 179.104 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -57.45 -35.97 70.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.701 -0.624 . . . . 10.0 109.596 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -62.3 -50.19 72.66 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.603 -0.686 . . . . 10.0 109.302 179.115 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.5 mt -71.07 -32.0 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.307 -0.871 . . . . 10.0 109.659 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.0 t -55.68 -42.77 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.493 -0.754 . . . . 10.0 110.17 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.2 -43.9 60.62 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.4 -0.813 . . . . 10.0 109.858 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.76 -34.39 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 10.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.41 -35.48 46.97 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 10.0 110.58 -179.815 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.04 -51.12 65.04 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.214 -0.929 . . . . 10.0 110.555 -179.848 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.21 -40.09 94.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.403 -0.811 . . . . 10.0 109.011 178.747 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HD1' HD23 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -66.92 -32.92 74.49 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.655 -0.653 . . . . 10.0 109.897 178.878 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -65.63 -43.27 90.01 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.482 -0.761 . . . . 10.0 109.47 179.35 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -59.75 -42.14 92.54 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.62 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.752 ' HE3' HD22 ' A' ' 23' ' ' LEU . 73.7 t90 -65.96 -43.05 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 10.0 109.507 178.726 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -61.89 -40.92 97.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.51 -0.744 . . . . 10.0 110.095 179.533 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.83 85.34 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.605 -0.684 . . . . 10.0 110.099 179.542 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.85 96.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.695 . . . . 10.0 109.561 179.225 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.18 -36.79 72.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 10.0 109.664 178.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.76 -145.03 0.1 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.562 -0.711 . . . . 10.0 109.694 179.488 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.586 ' O ' HD23 ' A' ' 31' ' ' LEU . 4.7 ttt 60.7 99.03 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.466 -0.771 . . . . 10.0 110.69 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -75.86 53.06 3.57 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 O-C-N 123.634 1.334 . . . . 10.0 110.712 179.682 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.38 46.47 0.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.25 -0.906 . . . . 10.0 110.063 -179.896 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 28' ' ' MET . 1.8 pp . . . . . 0 N--CA 1.496 1.871 0 O-C-N 121.26 -0.9 . . . . 10.0 110.931 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.5 m . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.07 0.462 . . . . 10.0 110.431 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.83 -141.09 24.94 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.712 -1.355 . . . . 10.0 109.712 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 m -123.52 -61.2 1.42 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.5 -1.0 . . . . 10.0 110.424 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.73 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -156.29 -174.56 5.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.315 -0.866 . . . . 10.0 110.417 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.73 HD12 ' HB3' ' A' ' 4' ' ' TRP . 1.8 mp 58.11 25.59 12.62 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.666 -0.646 . . . . 10.0 111.181 -179.82 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -44.74 61.57 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.12 -0.987 . . . . 10.0 110.352 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' A' ' 10' ' ' ASP . 8.1 t70 -94.74 -25.93 16.48 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.465 -0.772 . . . . 10.0 110.654 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.535 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -57.46 -37.46 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.992 -1.068 . . . . 10.0 110.167 179.902 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -82.08 -34.2 29.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 10.0 109.131 179.002 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 7' ' ' ASP . 13.8 t70 -68.38 -46.65 69.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.598 -0.689 . . . . 10.0 109.735 179.091 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -57.47 -37.85 73.56 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.627 -0.671 . . . . 10.0 109.424 179.341 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.4 mm -68.21 -37.64 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.458 -0.776 . . . . 10.0 109.612 179.049 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.15 -39.55 94.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.444 -0.785 . . . . 10.0 110.244 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.3 -49.69 66.19 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.434 -0.791 . . . . 10.0 110.433 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.73 -28.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.415 -0.803 . . . . 10.0 110.972 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.43 -33.33 32.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 10.0 110.49 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -58.46 -46.85 85.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.36 -44.27 97.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.436 -0.79 . . . . 10.0 109.175 178.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.71 -29.09 66.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 10.0 110.268 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -47.39 65.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.394 -0.816 . . . . 10.0 110.048 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -60.56 -41.8 95.32 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.47 -0.768 . . . . 10.0 109.832 179.466 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.529 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 65.7 t90 -64.43 -45.4 87.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.569 -0.707 . . . . 10.0 109.896 179.355 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.82 -45.0 68.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.442 -0.786 . . . . 10.0 110.355 179.872 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -38.46 88.12 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.337 -0.852 . . . . 10.0 110.195 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.19 86.56 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.498 -0.751 . . . . 10.0 109.884 179.234 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -79.49 -32.44 42.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.517 -0.739 . . . . 10.0 110.294 179.532 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 27' ' ' LEU . 2.1 mm? -75.73 -46.87 28.62 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 10.0 110.351 -179.831 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.6 mtp 65.1 163.77 0.12 Allowed Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.984 -0.448 . . . . 10.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -78.69 -177.12 3.66 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 O-C-N 123.702 1.37 . . . . 10.0 110.583 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -72.15 93.29 1.42 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.384 -0.823 . . . . 10.0 110.312 179.795 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 118.19 -0.909 . . . . 10.0 110.293 -179.652 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 120.876 0.369 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.66 88.24 1.93 Allowed Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.515 -1.434 . . . . 10.0 109.515 -179.91 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 t -85.05 -40.59 16.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.545 -0.973 . . . . 10.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.438 ' C ' HD12 ' A' ' 5' ' ' LEU . 5.9 p-90 -137.64 123.59 20.18 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.411 -0.805 . . . . 10.0 110.269 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 4' ' ' TRP . 6.5 mp -115.34 -37.04 4.14 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.463 -0.773 . . . . 10.0 110.597 -179.786 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -40.43 66.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.364 -0.835 . . . . 10.0 110.17 179.451 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.56 -28.46 69.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.474 -0.766 . . . . 10.0 110.552 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.06 -31.89 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.35 -0.844 . . . . 10.0 109.48 179.373 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.417 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.21 -41.06 87.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 10.0 110.535 -179.52 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.95 -35.94 82.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.471 -0.768 . . . . 10.0 110.237 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.71 -33.19 69.92 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.443 -0.786 . . . . 10.0 109.811 179.464 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.531 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.6 mm -94.07 -31.34 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.216 -0.928 . . . . 10.0 110.299 179.212 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -74.48 -45.59 45.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.316 -0.865 . . . . 10.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.11 -51.45 69.97 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.518 -0.739 . . . . 10.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.7 -32.22 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.522 -0.736 . . . . 10.0 110.735 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.62 83.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.327 -0.858 . . . . 10.0 109.747 179.298 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -40.92 95.32 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.505 -0.747 . . . . 10.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.12 -37.12 79.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.519 -0.738 . . . . 10.0 109.398 178.719 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -80.83 -10.15 59.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.633 -0.667 . . . . 10.0 111.083 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -109.57 6.16 23.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.043 -1.036 . . . . 10.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -101.97 -40.53 6.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.054 -1.029 . . . . 10.0 110.207 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.43 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 40.2 p-90 -64.05 -26.54 68.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 10.0 111.161 -179.787 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -70.79 -39.11 73.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.114 -0.991 . . . . 10.0 110.075 179.211 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.89 -28.93 62.48 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.564 -0.71 . . . . 10.0 110.527 179.529 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 -33.2 12.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 10.0 110.347 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -28.55 57.52 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.344 -0.847 . . . . 10.0 110.743 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 23' ' ' LEU . 8.2 mp -87.26 -52.86 5.15 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 10.0 110.37 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 92.73 38.43 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.472 -0.767 . . . . 10.0 110.467 -179.839 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -75.74 -143.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 124.04 1.548 . . . . 10.0 109.318 179.222 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -72.61 -158.47 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.686 -1.259 . . . . 10.0 109.896 179.556 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 30' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.301 0 CA-C-O 117.626 -1.178 . . . . 10.0 110.632 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 120.952 0.406 . . . . 10.0 110.135 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.67 159.44 14.14 Favored Glycine 0 N--CA 1.496 2.693 0 N-CA-C 109.827 -1.309 . . . . 10.0 109.827 -179.945 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -110.19 10.26 23.81 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.358 -1.084 . . . . 10.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.475 ' CZ3' HD13 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -133.41 60.96 1.69 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.131 -0.981 . . . . 10.0 110.089 -179.978 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.534 HD13 HG21 ' A' ' 8' ' ' ILE . 2.8 mm? -84.79 -35.2 22.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.496 -0.753 . . . . 10.0 110.208 179.78 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -19.33 63.12 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.398 -0.814 . . . . 10.0 110.878 179.702 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.58 -33.7 9.81 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.353 -0.842 . . . . 10.0 110.461 -179.878 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.56 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 5.4 tp -65.77 -24.06 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.187 -0.946 . . . . 10.0 110.384 179.583 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -70.11 -39.67 75.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.985 -1.072 . . . . 10.0 109.364 179.065 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.33 -50.64 66.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.739 -0.601 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -57.98 -35.16 70.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.422 -0.799 . . . . 10.0 109.957 179.718 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.5 mm -69.27 -39.99 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.247 -0.908 . . . . 10.0 109.638 179.017 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.64 -32.25 70.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.53 -0.731 . . . . 10.0 109.898 179.28 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.34 -41.2 98.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.635 -0.665 . . . . 10.0 109.825 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.542 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 40.4 t -78.26 -31.12 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.419 -0.8 . . . . 10.0 109.642 179.319 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.68 -38.97 80.77 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.481 -0.762 . . . . 10.0 110.753 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -60.43 -38.91 85.6 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.384 -0.822 . . . . 10.0 110.463 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.53 -37.51 87.59 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.202 -0.936 . . . . 10.0 109.235 178.791 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.712 ' O ' HD12 ' A' ' 23' ' ' LEU . 27.2 t80 -68.36 -23.13 64.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.665 -0.647 . . . . 10.0 110.31 179.073 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -88.16 -24.96 23.19 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.033 -1.042 . . . . 10.0 110.125 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -60.51 -50.15 74.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.517 -0.74 . . . . 10.0 110.714 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.484 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 18.2 p-90 -68.92 -24.83 64.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.152 -0.967 . . . . 10.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -73.1 -38.35 66.39 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.167 -0.958 . . . . 10.0 109.708 178.845 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -68.96 -37.19 78.68 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.545 -0.722 . . . . 10.0 109.809 179.14 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.11 86.38 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 10.0 110.213 179.508 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -80.07 -39.57 29.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.429 -0.794 . . . . 10.0 110.126 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.05 -38.79 86.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.609 -0.682 . . . . 10.0 110.057 179.648 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 ttt 56.05 75.01 0.62 Allowed Pre-proline 0 N--CA 1.5 2.035 0 O-C-N 121.805 -0.56 . . . . 10.0 110.501 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.77 -170.76 0.64 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 124.002 1.528 . . . . 10.0 110.63 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.33 120.96 11.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.283 -0.886 . . . . 10.0 110.045 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 117.819 -1.086 . . . . 10.0 110.783 -179.631 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.007 0.432 . . . . 10.0 110.276 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.73 50.14 60.21 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 109.629 -1.388 . . . . 10.0 109.629 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m -126.24 59.78 1.33 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.515 -0.991 . . . . 10.0 109.884 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -123.11 -164.67 1.22 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.469 -0.769 . . . . 10.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.64 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.42 59.74 1.1 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.715 -0.615 . . . . 10.0 110.889 -179.884 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -34.38 76.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.113 -0.992 . . . . 10.0 109.755 179.032 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.56 -20.2 61.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.732 . . . . 10.0 109.908 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.64 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -50.09 -35.86 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 10.0 110.475 179.651 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -77.87 -41.71 35.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.167 -0.958 . . . . 10.0 109.457 179.288 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.71 -47.51 75.14 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.688 -0.632 . . . . 10.0 110.127 179.652 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -54.24 -37.17 64.34 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.584 -0.697 . . . . 10.0 109.871 179.753 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.5 mm -75.56 -34.32 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.318 -0.864 . . . . 10.0 110.023 178.925 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -59.25 -44.58 92.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.573 -0.704 . . . . 10.0 110.639 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -46.34 90.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.4 -0.813 . . . . 10.0 109.666 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.54 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 84.6 t -68.88 -31.05 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.577 -0.702 . . . . 10.0 109.998 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -37.48 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -0.844 . . . . 10.0 110.112 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -42.43 98.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.459 -0.776 . . . . 10.0 109.826 179.321 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.1 -40.03 92.18 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.547 -0.721 . . . . 10.0 109.184 178.747 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -67.43 -34.73 77.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.622 -0.674 . . . . 10.0 109.958 179.015 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -63.99 -42.89 97.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.378 -0.826 . . . . 10.0 109.391 179.042 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 m -59.17 -42.4 90.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.482 -0.761 . . . . 10.0 109.344 178.954 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.583 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 32.4 t90 -65.84 -43.6 88.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.607 -0.683 . . . . 10.0 109.443 178.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.583 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.64 -32.62 74.29 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.601 -0.687 . . . . 10.0 110.381 179.553 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' HD12 ' A' ' 27' ' ' LEU . 16.5 tttm -67.49 -31.66 71.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.428 -0.795 . . . . 10.0 110.244 179.599 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.82 78.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.349 -0.844 . . . . 10.0 109.793 179.471 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.02 -23.93 30.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.593 -0.692 . . . . 10.0 109.973 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 64.99 100.85 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.361 0.6 . . . . 10.0 110.327 -179.548 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.505 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 6.5 ttp -53.48 -49.45 88.42 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.542 -0.724 . . . . 10.0 110.821 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 50.0 Cg_endo -75.37 59.47 5.44 Favored 'Trans proline' 0 N--CA 1.489 1.215 0 O-C-N 123.552 1.29 . . . . 10.0 110.154 179.49 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 7.3 tt0 -164.61 141.49 6.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.506 -0.746 . . . . 10.0 109.657 -179.62 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.504 2.273 0 CA-C-O 117.694 -1.146 . . . . 10.0 110.727 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 120.9 0.381 . . . . 10.0 110.438 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.73 -95.17 0.48 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.683 -1.367 . . . . 10.0 109.683 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -162.97 -54.68 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.412 -1.052 . . . . 10.0 111.439 -179.817 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.63 -145.58 0.18 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.148 -0.97 . . . . 10.0 110.955 -179.126 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -50.28 -24.6 3.02 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.324 -0.86 . . . . 10.0 111.745 -179.66 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -43.11 81.01 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.238 -0.914 . . . . 10.0 110.61 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.82 -20.11 13.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.356 -0.84 . . . . 10.0 110.97 179.84 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -64.73 -32.73 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.072 -1.017 . . . . 10.0 110.128 179.912 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -75.04 -32.06 61.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.962 -1.086 . . . . 10.0 109.384 178.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.91 -47.18 66.45 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.559 -0.713 . . . . 10.0 109.657 179.053 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.49 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -58.06 -36.36 72.67 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.505 -0.747 . . . . 10.0 109.399 179.365 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.2 mm -68.45 -37.94 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.347 -0.846 . . . . 10.0 109.683 178.923 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.34 -33.17 75.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.484 -0.76 . . . . 10.0 110.345 179.541 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.57 -49.06 51.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.421 -0.799 . . . . 10.0 110.28 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 12' ' ' ILE . 7.4 p -68.87 -29.28 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.48 -0.762 . . . . 10.0 111.101 -179.851 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -78.22 -38.22 43.56 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.978 -1.076 . . . . 10.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -65.08 -44.33 89.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.252 -0.905 . . . . 10.0 110.252 179.787 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -36.83 80.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.399 -0.813 . . . . 10.0 109.39 179.007 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.06 -37.86 66.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.691 -0.631 . . . . 10.0 109.848 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -60.36 -45.94 91.72 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.595 -0.691 . . . . 10.0 110.024 179.52 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -62.39 -41.55 98.74 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 10.0 109.755 179.222 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.856 ' HE3' HD22 ' A' ' 23' ' ' LEU . 69.9 t90 -60.43 -41.43 93.97 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.579 -0.7 . . . . 10.0 109.877 179.295 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.856 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -61.96 -47.46 84.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.595 -0.691 . . . . 10.0 110.027 179.613 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -46.93 80.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.607 -0.683 . . . . 10.0 109.849 179.531 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.3 72.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.61 -0.681 . . . . 10.0 110.418 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -71.8 -34.93 69.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.397 -0.815 . . . . 10.0 110.329 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -63.23 1.24 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.551 -0.718 . . . . 10.0 110.155 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 tpt 57.19 88.38 0.12 Allowed Pre-proline 0 N--CA 1.502 2.126 0 O-C-N 121.773 -0.579 . . . . 10.0 110.838 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.0 -172.16 0.93 Allowed 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.69 1.363 . . . . 10.0 110.584 179.783 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -62.3 120.8 11.69 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.39 -0.819 . . . . 10.0 110.147 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.915 -1.04 . . . . 10.0 110.35 -179.761 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 120.943 0.401 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.97 -148.35 24.05 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.648 -1.381 . . . . 10.0 109.648 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 p -104.55 -59.64 1.71 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.436 -1.038 . . . . 10.0 110.264 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.59 ' CZ3' HD13 ' A' ' 8' ' ' ILE . 1.7 m95 65.04 151.54 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 CA-C-O 121.302 0.573 . . . . 10.0 111.075 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.613 ' HA ' HG22 ' A' ' 8' ' ' ILE . 28.1 mt 67.66 -60.28 0.39 Allowed 'General case' 0 N--CA 1.508 2.457 0 O-C-N 121.865 -0.522 . . . . 10.0 111.509 179.653 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -60.6 -22.59 63.91 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.064 -1.022 . . . . 10.0 110.605 179.775 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -107.2 -11.54 15.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.238 -0.914 . . . . 10.0 110.243 178.925 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.613 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -99.19 -25.0 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 10.0 110.261 179.63 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -75.37 -20.66 58.84 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.124 -0.985 . . . . 10.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 1.1 t70 -83.68 -43.71 15.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.347 -0.846 . . . . 10.0 109.155 179.261 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.51 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.56 -32.67 71.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.683 -0.636 . . . . 10.0 109.539 179.184 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.3 mm -75.8 -44.05 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.312 -0.868 . . . . 10.0 109.806 178.988 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.94 -38.06 84.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.588 -0.695 . . . . 10.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.33 -55.26 33.7 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.377 -0.827 . . . . 10.0 110.177 179.746 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.0 t -65.85 -32.83 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.484 -0.76 . . . . 10.0 110.029 179.54 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -64.61 -41.25 96.33 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.487 -0.758 . . . . 10.0 110.236 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 t -63.05 -42.34 99.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.306 -0.871 . . . . 10.0 109.551 179.362 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -41.93 88.11 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.705 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -70.81 -38.04 73.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.659 -0.651 . . . . 10.0 109.442 178.622 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.59 95.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.668 -0.645 . . . . 10.0 109.888 179.362 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -62.41 -45.51 92.79 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 10.0 109.506 179.146 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.534 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 20.3 t90 -64.42 -43.38 94.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.584 -0.697 . . . . 10.0 109.67 179.177 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.534 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.82 -39.31 80.83 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.522 -0.736 . . . . 10.0 110.351 179.805 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -42.29 91.3 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.104 179.663 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.04 82.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.511 -0.743 . . . . 10.0 110.315 179.526 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -74.43 -36.54 63.41 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.442 -0.786 . . . . 10.0 110.524 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -35.77 77.25 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.506 -0.747 . . . . 10.0 110.633 -179.931 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.29 110.95 47.99 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.448 -0.783 . . . . 10.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.56 178.26 6.94 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.661 1.348 . . . . 10.0 110.819 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.75 71.11 3.3 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.383 -0.823 . . . . 10.0 110.449 179.899 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 117.955 -1.021 . . . . 10.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.025 0.441 . . . . 10.0 110.448 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.91 111.34 3.85 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.522 -1.431 . . . . 10.0 109.522 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 7' ' ' ASP . 27.3 p -102.16 13.69 34.01 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.614 -0.933 . . . . 10.0 111.009 179.784 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -137.13 0.11 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.268 -0.895 . . . . 10.0 109.801 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.532 ' O ' HG22 ' A' ' 8' ' ' ILE . 1.4 pp -53.85 -23.34 12.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.996 -1.065 . . . . 10.0 111.313 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -28.6 65.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.138 -0.976 . . . . 10.0 110.321 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.441 ' CB ' ' HA ' ' A' ' 3' ' ' SER . 28.3 t70 -101.73 -19.85 15.2 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.488 -0.758 . . . . 10.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 5' ' ' LEU . 12.0 tt -62.07 -27.41 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.063 -1.023 . . . . 10.0 111.222 -179.587 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -34.09 64.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.268 -0.895 . . . . 10.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.32 -36.86 64.21 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.52 -0.737 . . . . 10.0 110.248 179.513 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -61.28 -47.75 84.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.575 -0.703 . . . . 10.0 109.769 179.324 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.43 -32.4 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.259 -0.901 . . . . 10.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 t -62.15 -39.96 94.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.34 -0.85 . . . . 10.0 110.285 179.913 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.24 -51.66 59.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.536 -0.727 . . . . 10.0 110.467 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.16 -28.26 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.296 -0.878 . . . . 10.0 110.443 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.35 -44.57 71.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.201 -0.937 . . . . 10.0 110.13 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 p -64.87 -35.8 82.31 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 10.0 109.51 179.287 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.01 -38.56 91.69 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.589 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -65.18 -35.17 80.24 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.73 -0.606 . . . . 10.0 109.635 178.87 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.2 -48.55 67.54 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.479 -0.763 . . . . 10.0 109.394 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -66.02 -40.01 90.7 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.543 -0.723 . . . . 10.0 109.767 179.099 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.543 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 26.1 t90 -59.38 -41.24 88.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.624 -0.673 . . . . 10.0 109.899 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.95 -45.2 82.67 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.533 -0.73 . . . . 10.0 110.345 179.782 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -70.29 -36.94 74.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.455 -0.778 . . . . 10.0 110.246 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.492 -0.755 . . . . 10.0 110.257 179.534 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -16.44 24.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.252 -0.905 . . . . 10.0 110.556 179.409 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 28' ' ' MET . 0.3 OUTLIER 56.53 50.02 13.7 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.489 -0.757 . . . . 10.0 110.167 -179.674 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 26.46 74.2 0.34 Allowed Pre-proline 0 N--CA 1.512 2.631 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -179.913 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -77.65 61.58 7.53 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 O-C-N 123.672 1.354 . . . . 10.0 111.093 -179.848 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -157.65 36.24 0.27 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.214 -0.929 . . . . 10.0 110.699 179.748 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.942 -1.027 . . . . 10.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 1.1 mp . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 121.412 0.625 . . . . 10.0 109.905 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 53.2 ttp180 -56.44 -49.47 74.49 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.237 -0.915 . . . . 10.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -27.52 68.55 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.415 -0.803 . . . . 10.0 110.719 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.716 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -56.37 -31.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.388 -0.82 . . . . 10.0 110.812 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.474 ' CD1' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -68.21 -12.49 61.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.229 -0.919 . . . . 10.0 111.162 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 15.1 t70 -79.01 -34.96 43.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 10.0 108.804 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.549 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.96 -30.31 67.81 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.632 -0.668 . . . . 10.0 109.644 178.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.549 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.4 mm -97.44 -39.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.136 -0.978 . . . . 10.0 110.175 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.96 -39.79 72.35 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.323 -0.861 . . . . 10.0 111.2 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -39.21 84.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.271 -0.893 . . . . 10.0 110.744 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.1 t -77.4 -29.37 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.355 -0.841 . . . . 10.0 110.787 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 2.9 39.31 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.214 -0.929 . . . . 10.0 111.406 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -49.91 56.75 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 10.0 110.379 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.448 -0.783 . . . . 10.0 109.457 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -64.81 -34.15 77.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.616 -0.677 . . . . 10.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -70.81 -49.11 49.92 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.383 -0.823 . . . . 10.0 110.067 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -56.22 -42.09 76.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.526 -0.734 . . . . 10.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.555 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 67.1 t90 -62.6 -43.82 97.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.556 -0.715 . . . . 10.0 109.918 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -70.93 -38.98 72.91 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.443 -0.786 . . . . 10.0 110.459 179.699 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -60.39 -33.35 72.35 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.463 -0.773 . . . . 10.0 110.192 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.11 -39.09 50.78 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 10.0 110.094 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.65 -33.93 69.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 10.0 110.419 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.496 1.865 0 O-C-N 121.43 -0.794 . . . . 10.0 110.929 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.5 pp . . . . . 0 N--CA 1.5 2.039 0 CA-C-O 120.786 0.327 . . . . 10.0 110.805 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -82.11 -16.0 51.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 10.0 109.859 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -100.03 -30.27 12.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.556 -0.715 . . . . 10.0 110.212 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.669 ' O ' HD12 ' A' ' 12' ' ' ILE . 13.0 tt -61.55 -29.82 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.223 -0.923 . . . . 10.0 110.59 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -62.34 -41.28 98.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.123 -0.986 . . . . 10.0 109.804 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.59 -39.3 76.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.552 -0.718 . . . . 10.0 109.603 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 1.4 t90 -57.61 -54.31 48.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.717 -0.614 . . . . 10.0 109.544 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.7 mp -69.72 -35.21 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.181 -0.949 . . . . 10.0 110.141 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.44 -33.25 67.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.48 -0.763 . . . . 10.0 110.169 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.05 -45.88 17.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.72 . . . . 10.0 110.084 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.07 -34.54 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.614 -0.679 . . . . 10.0 110.806 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -9.25 59.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.195 -0.941 . . . . 10.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.5 t -82.95 -60.22 2.23 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.101 -1.0 . . . . 10.0 110.29 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.97 -31.9 67.34 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.304 -0.873 . . . . 10.0 109.539 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -65.82 -39.57 91.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.595 -0.691 . . . . 10.0 109.531 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -62.58 -35.16 78.63 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.744 . . . . 10.0 109.578 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -69.46 -39.89 77.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.593 -0.692 . . . . 10.0 109.648 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.592 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 52.4 t90 -59.81 -47.01 87.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.631 -0.668 . . . . 10.0 110.067 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -68.74 -43.63 75.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.493 -0.755 . . . . 10.0 110.318 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -63.43 -41.93 98.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.517 -0.739 . . . . 10.0 109.923 179.558 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.93 75.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.436 -0.79 . . . . 10.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -75.83 -21.55 57.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.542 -0.724 . . . . 10.0 110.659 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 O-C-N 121.539 -0.726 . . . . 10.0 110.249 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.441 ' HA ' HG22 ' A' ' 8' ' ' ILE . 2.3 mp . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 120.955 0.407 . . . . 10.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -25.45 65.48 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.224 -0.923 . . . . 10.0 110.703 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.57 -35.12 10.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.353 -0.842 . . . . 10.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.565 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 2.6 tp -63.77 -27.48 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.194 -0.941 . . . . 10.0 110.935 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.411 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 52.3 m0 -66.66 -41.49 88.12 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.077 -1.014 . . . . 10.0 109.822 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.78 -48.22 77.81 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.643 -0.661 . . . . 10.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.565 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.05 -37.99 81.46 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.539 -0.726 . . . . 10.0 109.814 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.4 mm -66.59 -37.76 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.3 -0.875 . . . . 10.0 109.817 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.62 -31.73 72.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.458 -0.776 . . . . 10.0 109.884 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -71.95 -46.91 55.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.463 -0.773 . . . . 10.0 110.309 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.1 p -73.71 -24.63 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.343 -0.848 . . . . 10.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 16' ' ' LEU . 3.5 tm? -83.02 -41.16 19.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.232 -0.917 . . . . 10.0 110.454 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 p -61.06 -48.93 79.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.326 -0.859 . . . . 10.0 110.649 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -37.84 72.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.506 -0.746 . . . . 10.0 109.646 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.32 -37.65 74.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.689 -0.632 . . . . 10.0 110.167 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.437 -0.789 . . . . 10.0 110.13 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -60.27 -42.64 95.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 10.0 109.685 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.581 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.6 t90 -68.97 -41.16 78.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.612 -0.68 . . . . 10.0 109.658 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -67.79 -41.04 83.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.458 -0.776 . . . . 10.0 110.701 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.82 -46.09 90.33 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.398 -0.814 . . . . 10.0 110.199 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.91 73.08 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.609 -0.682 . . . . 10.0 110.376 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -30.83 62.96 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.321 -0.862 . . . . 10.0 110.409 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.944 0 O-C-N 121.457 -0.777 . . . . 10.0 110.62 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.2 mt . . . . . 0 N--CA 1.505 2.311 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.18 -22.96 63.56 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.227 -0.921 . . . . 10.0 109.228 178.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -99.23 -17.07 18.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.759 -0.588 . . . . 10.0 110.382 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 5' ' ' LEU . 8.3 tt -89.27 -26.39 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.14 -0.975 . . . . 10.0 111.041 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -68.14 -41.46 81.61 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.269 -0.895 . . . . 10.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.01 -40.46 70.16 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.574 -0.704 . . . . 10.0 109.945 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.598 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.68 -52.04 67.05 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 12' ' ' ILE . 30.5 mm -69.16 -27.74 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.582 -0.699 . . . . 10.0 110.568 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.09 -38.49 91.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.275 -0.891 . . . . 10.0 110.172 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -44.38 62.01 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.374 -0.829 . . . . 10.0 109.697 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.96 -33.66 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.563 -0.711 . . . . 10.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.92 -27.61 62.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.291 -0.88 . . . . 10.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.21 -53.69 52.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.296 -0.877 . . . . 10.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -40.81 78.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.262 -0.899 . . . . 10.0 109.622 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.471 ' O ' HD12 ' A' ' 23' ' ' LEU . 29.7 t80 -68.5 -19.75 64.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.566 -0.709 . . . . 10.0 110.517 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 7.79 37.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.204 -0.935 . . . . 10.0 110.227 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.9 -41.65 6.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.908 . . . . 10.0 110.097 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.48 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.1 p-90 -64.76 -26.66 68.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.334 -0.854 . . . . 10.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -65.93 -38.41 88.6 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.244 -0.91 . . . . 10.0 109.783 178.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.16 -32.65 74.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.611 -0.68 . . . . 10.0 109.919 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.25 72.97 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.37 -0.831 . . . . 10.0 109.764 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -29.89 19.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.485 -0.759 . . . . 10.0 109.844 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 O-C-N 121.299 -0.876 . . . . 10.0 110.854 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.515 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.6 pp . . . . . 0 N--CA 1.51 2.538 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -103.25 -50.4 3.48 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.192 -0.943 . . . . 10.0 109.45 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -101.38 -13.22 18.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 10.0 110.633 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.515 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 16.3 tt -59.7 -31.48 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.212 -0.93 . . . . 10.0 110.189 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.93 -38.5 37.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.503 -0.748 . . . . 10.0 109.513 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.52 -37.64 88.09 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.657 -0.652 . . . . 10.0 110.007 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.462 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.66 -39.92 90.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.491 -0.755 . . . . 10.0 109.436 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.8 mm -83.95 -28.74 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.236 -0.915 . . . . 10.0 110.29 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.95 -40.87 62.75 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.21 -0.931 . . . . 10.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.42 -51.13 60.21 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.301 -0.874 . . . . 10.0 110.621 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.65 -32.77 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.419 -0.801 . . . . 10.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.87 -46.53 12.91 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.169 -0.957 . . . . 10.0 109.389 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -59.66 -39.67 85.17 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.61 -0.682 . . . . 10.0 109.823 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.92 -41.66 96.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.51 -35.92 68.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.815 -0.553 . . . . 10.0 109.612 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.66 -44.48 77.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.708 . . . . 10.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.0 m -62.5 -42.34 99.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.374 -0.829 . . . . 10.0 109.902 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -70.07 -41.46 74.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.43 -0.794 . . . . 10.0 110.13 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.1 tp -71.87 -41.79 67.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.78 . . . . 10.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -28.74 70.08 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.303 -0.873 . . . . 10.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.76 91.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.29 -0.881 . . . . 10.0 110.344 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -94.88 -39.29 10.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 10.0 110.249 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 27' ' ' LEU . 1.5 tm? . . . . . 0 N--CA 1.496 1.831 0 O-C-N 121.415 -0.803 . . . . 10.0 110.131 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.642 HD23 ' CZ2' ' A' ' 9' ' ' TRP . 5.1 mp . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 120.625 0.25 . . . . 10.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -55.58 -35.37 65.71 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.54 -0.725 . . . . 10.0 109.948 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -102.79 -34.96 8.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.782 -0.574 . . . . 10.0 109.916 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.39 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.492 -0.755 . . . . 10.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.642 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 28.4 m0 -67.92 -40.42 83.38 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.265 -0.897 . . . . 10.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -37.01 84.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.697 -0.627 . . . . 10.0 110.137 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -41.91 89.55 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.348 -0.845 . . . . 10.0 109.466 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.1 mm -74.33 -36.41 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.3 -0.875 . . . . 10.0 109.968 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.42 -39.46 71.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.338 -0.851 . . . . 10.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.27 -48.97 47.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 10.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.95 -32.73 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.195 -0.941 . . . . 10.0 110.726 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.58 -42.31 18.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.123 -0.986 . . . . 10.0 109.653 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 t -62.0 -43.71 98.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 10.0 110.001 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.61 -40.12 90.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.271 -0.893 . . . . 10.0 109.602 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -67.87 -37.3 81.64 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.519 -0.738 . . . . 10.0 110.224 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -78.24 -37.57 44.91 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.48 -0.763 . . . . 10.0 110.217 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -60.76 -43.42 98.03 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.747 . . . . 10.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.846 ' HE3' HD22 ' A' ' 23' ' ' LEU . 66.7 t90 -65.1 -49.83 68.46 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.404 -0.81 . . . . 10.0 110.01 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.846 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -61.07 -40.78 94.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.366 -0.834 . . . . 10.0 110.351 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -72.0 -36.23 69.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 10.0 110.02 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.69 76.34 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 10.0 109.947 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -7.76 51.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.414 -0.804 . . . . 10.0 110.796 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 O-C-N 121.4 -0.812 . . . . 10.0 110.546 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.598 ' HA ' HG22 ' A' ' 8' ' ' ILE . 5.3 mp . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 120.939 0.399 . . . . 10.0 110.535 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.18 -25.55 65.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.338 -0.851 . . . . 10.0 110.841 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.97 -29.31 9.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.324 -0.86 . . . . 10.0 110.678 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.598 HG22 ' HA ' ' A' ' 5' ' ' LEU . 9.8 tt -61.45 -36.41 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.161 -0.962 . . . . 10.0 110.442 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.427 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 23.5 m0 -66.18 -37.16 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.312 -0.868 . . . . 10.0 109.233 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.13 -35.57 73.71 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 10.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.03 -49.25 75.36 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.608 -0.682 . . . . 10.0 109.298 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 8' ' ' ILE . 4.0 mt -72.29 -36.79 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.368 -0.832 . . . . 10.0 109.786 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 t -57.54 -42.87 83.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.642 -0.661 . . . . 10.0 110.511 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -58.16 -40.64 81.92 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.509 -0.744 . . . . 10.0 110.105 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.52 -23.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 10.0 110.3 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD13 HG22 ' A' ' 12' ' ' ILE . 1.3 tp -70.64 -22.13 62.55 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.268 -0.895 . . . . 10.0 111.152 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -58.26 8.93 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.126 -0.984 . . . . 10.0 110.622 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.524 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 m-20 -62.29 -31.43 72.03 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.232 -0.918 . . . . 10.0 109.774 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -70.86 -36.28 72.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 109.482 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -33.85 27.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.492 -0.755 . . . . 10.0 110.327 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -61.4 -34.75 75.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.314 -0.866 . . . . 10.0 110.165 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.588 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 47.0 t90 -74.14 -43.68 56.53 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.445 -0.784 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.588 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -68.55 -36.2 78.46 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.511 -0.743 . . . . 10.0 110.227 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -41.91 98.94 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.462 -0.774 . . . . 10.0 109.892 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.21 67.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.567 -0.708 . . . . 10.0 110.306 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -32.85 21.98 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.359 -0.838 . . . . 10.0 110.258 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.498 1.925 0 O-C-N 121.526 -0.734 . . . . 10.0 110.754 179.69 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.646 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 120.597 0.237 . . . . 10.0 111.444 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -80.05 -44.11 20.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.004 -1.06 . . . . 10.0 109.687 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.5 -34.13 21.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.57 -0.706 . . . . 10.0 110.707 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 5' ' ' LEU . 8.1 tt -64.55 -28.56 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.251 -0.906 . . . . 10.0 110.841 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -68.53 -45.42 72.28 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.183 -0.948 . . . . 10.0 109.901 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.64 -39.97 92.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.423 -0.798 . . . . 10.0 109.919 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -55.56 -35.94 66.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.73 179.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.508 HG12 ' CD1' ' A' ' 11' ' ' TRP . 5.6 mm -89.56 -38.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.244 -0.91 . . . . 10.0 110.231 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 t -65.75 -42.97 90.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.407 -0.808 . . . . 10.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.54 -52.97 62.93 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.447 -0.783 . . . . 10.0 110.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.22 -35.02 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.526 -0.734 . . . . 10.0 110.177 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.1 -22.94 51.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 10.0 110.148 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -50.61 59.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.364 -0.835 . . . . 10.0 109.835 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.94 -41.02 86.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.395 -0.816 . . . . 10.0 108.953 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.01 -38.08 81.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.661 -0.649 . . . . 10.0 109.475 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -64.67 -39.42 93.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.524 -0.735 . . . . 10.0 109.595 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -58.93 -44.06 91.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.507 -0.746 . . . . 10.0 109.512 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.827 ' HE3' HD22 ' A' ' 23' ' ' LEU . 71.4 t90 -70.71 -42.65 70.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.653 -0.654 . . . . 10.0 109.675 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.827 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -62.48 -40.92 98.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.584 -0.698 . . . . 10.0 110.451 179.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -62.64 -43.15 99.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.417 -0.802 . . . . 10.0 110.342 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.35 -37.51 71.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.461 -0.775 . . . . 10.0 110.438 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.25 -34.92 66.11 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 10.0 110.592 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.913 0 O-C-N 121.344 -0.847 . . . . 10.0 110.774 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 120.738 0.304 . . . . 10.0 110.536 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.15 -49.72 76.77 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.942 . . . . 10.0 110.036 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -33.56 74.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.776 . . . . 10.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.543 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 1.4 tt -79.52 -8.82 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.119 -0.988 . . . . 10.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -43.98 8.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.984 -1.072 . . . . 10.0 109.78 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.3 -40.34 95.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.415 -0.803 . . . . 10.0 109.82 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.543 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.44 -33.4 72.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.546 -0.721 . . . . 10.0 109.683 179.432 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.457 HG12 ' NE1' ' A' ' 11' ' ' TRP . 4.6 mm -78.37 -30.79 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.34 -0.85 . . . . 10.0 110.263 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.71 -43.64 65.58 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.294 -0.879 . . . . 10.0 110.669 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -41.87 92.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 10.0 110.153 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -78.5 -24.98 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.861 . . . . 10.0 110.168 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -43.9 97.96 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.235 -0.915 . . . . 10.0 110.289 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.6 p -63.93 -40.53 96.66 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.291 -0.881 . . . . 10.0 109.383 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.15 -39.28 89.5 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -69.11 -37.73 78.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.75 -0.594 . . . . 10.0 109.988 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -61.21 -44.34 97.44 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.364 -0.835 . . . . 10.0 109.884 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.1 m -61.65 -36.94 82.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.532 -0.73 . . . . 10.0 109.686 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.544 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.9 t90 -68.78 -39.45 80.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.625 -0.672 . . . . 10.0 109.733 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.2 -28.7 69.92 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.58 -0.7 . . . . 10.0 110.237 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -84.02 -41.36 17.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.447 -0.783 . . . . 10.0 109.72 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.64 82.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.582 -0.699 . . . . 10.0 109.849 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -17.93 34.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.47 -0.769 . . . . 10.0 110.285 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.041 0 O-C-N 121.735 -0.603 . . . . 10.0 110.308 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.502 2.169 0 CA-C-O 120.395 0.14 . . . . 10.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -38.48 64.79 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.091 -1.006 . . . . 10.0 110.221 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.6 -19.2 58.1 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 10.0 110.626 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt -93.84 -28.45 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.242 -0.911 . . . . 10.0 109.652 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -64.43 -46.75 81.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.557 -0.715 . . . . 10.0 110.486 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.32 -39.14 92.07 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.33 -0.856 . . . . 10.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.39 -29.69 66.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.766 . . . . 10.0 110.199 179.579 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.1 mm -99.06 -34.39 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.135 -0.978 . . . . 10.0 110.55 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 t -77.6 -40.38 42.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.324 -0.86 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.74 -35.0 79.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.18 -0.95 . . . . 10.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.26 -28.72 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.316 -0.865 . . . . 10.0 110.357 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.47 -32.16 24.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.275 -0.891 . . . . 10.0 111.043 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -56.83 -47.2 80.87 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.223 -0.923 . . . . 10.0 110.478 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.4 -36.31 79.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.292 -0.88 . . . . 10.0 109.136 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -20.22 63.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.723 -0.611 . . . . 10.0 110.496 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -8.54 49.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.226 -0.921 . . . . 10.0 110.268 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 m -80.24 -50.57 10.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.353 -0.842 . . . . 10.0 110.024 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 26.4 p-90 -68.4 -25.04 64.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.317 -0.864 . . . . 10.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -76.09 -38.98 56.34 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.264 -0.898 . . . . 10.0 109.884 179.097 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -65.45 -41.51 93.34 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.515 -0.741 . . . . 10.0 109.761 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.26 90.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.652 -0.655 . . . . 10.0 110.298 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -70.65 -30.59 67.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.775 . . . . 10.0 110.447 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.496 1.858 0 O-C-N 121.418 -0.801 . . . . 10.0 110.14 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.8 tp . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 120.617 0.246 . . . . 10.0 111.601 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.45 96.57 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.054 -1.029 . . . . 10.0 110.54 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.11 -3.31 29.46 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.25 -0.906 . . . . 10.0 111.297 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.52 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 9.4 tt -71.6 -20.42 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 120.969 -1.082 . . . . 10.0 110.689 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -33.59 75.93 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.265 -0.897 . . . . 10.0 109.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.45 -37.68 62.85 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.623 -0.673 . . . . 10.0 110.065 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.546 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.19 -45.51 87.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.637 -0.665 . . . . 10.0 109.248 178.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.16 -26.26 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.402 -0.811 . . . . 10.0 109.987 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -56.75 -43.99 81.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.415 -0.803 . . . . 10.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.81 -39.44 80.07 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.642 -0.661 . . . . 10.0 109.988 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.65 -30.06 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.414 -0.804 . . . . 10.0 110.053 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -43.12 51.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.418 -0.801 . . . . 10.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 p -58.26 -44.02 88.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.351 -0.843 . . . . 10.0 110.406 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.1 -31.97 73.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.391 -0.818 . . . . 10.0 109.594 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -83.12 -7.41 59.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.633 -0.667 . . . . 10.0 110.851 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -113.77 11.48 18.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.029 -1.044 . . . . 10.0 111.311 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -116.26 -55.66 2.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.092 -1.005 . . . . 10.0 109.211 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.549 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 56.1 t90 -73.42 -39.13 65.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.586 -0.696 . . . . 10.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.549 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -74.46 -37.5 63.21 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.587 -0.695 . . . . 10.0 110.693 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 27' ' ' LEU . 16.8 tptt -66.41 -38.1 86.7 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.391 -0.818 . . . . 10.0 110.564 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.26 92.96 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.821 . . . . 10.0 110.399 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -91.38 -14.53 30.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 10.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.929 0 O-C-N 121.444 -0.785 . . . . 10.0 109.916 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.638 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.5 2.047 0 CA-C-O 120.713 0.292 . . . . 10.0 111.279 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -64.57 -23.59 67.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.146 -0.971 . . . . 10.0 110.796 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -107.19 -32.81 7.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.288 -0.882 . . . . 10.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.638 HG22 ' HA ' ' A' ' 5' ' ' LEU . 12.1 tt -60.5 -34.27 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.123 -0.985 . . . . 10.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -69.77 -38.5 76.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.196 -0.94 . . . . 10.0 109.25 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.86 -39.97 96.04 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.681 -0.637 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -40.92 96.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.418 -0.802 . . . . 10.0 109.798 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.9 mm -67.85 -27.83 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.272 -0.892 . . . . 10.0 110.237 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.39 -37.16 52.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.207 -0.933 . . . . 10.0 109.824 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.81 -50.46 66.61 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.572 -0.705 . . . . 10.0 110.117 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.94 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.543 -0.723 . . . . 10.0 110.405 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tp -69.64 -43.74 72.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.243 -0.911 . . . . 10.0 110.002 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -64.63 -37.47 87.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.761 . . . . 10.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -40.55 94.23 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.02 -38.31 88.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.691 -0.63 . . . . 10.0 110.082 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -74.28 -41.62 60.91 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.416 -0.802 . . . . 10.0 110.06 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -65.69 -39.52 91.35 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.527 -0.733 . . . . 10.0 109.833 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.739 ' HE3' HD22 ' A' ' 23' ' ' LEU . 60.4 t90 -63.41 -45.03 92.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.422 -0.799 . . . . 10.0 109.991 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -63.35 -40.73 98.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.461 -0.774 . . . . 10.0 110.247 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -73.72 -31.27 63.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.348 -0.845 . . . . 10.0 110.152 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.04 65.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.521 -0.737 . . . . 10.0 109.558 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 -25.18 35.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.606 -0.684 . . . . 10.0 109.793 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 121.451 0.644 . . . . 10.0 111.052 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.838 0.352 . . . . 10.0 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.37 7.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.143 -0.973 . . . . 10.0 109.31 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.19 -26.93 62.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 10.0 110.356 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.1 tt -62.03 -33.7 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.269 -0.894 . . . . 10.0 109.818 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -67.63 -38.52 84.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.275 -0.891 . . . . 10.0 108.984 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.81 -0.556 . . . . 10.0 110.136 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.577 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -62.0 -37.33 84.43 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.441 -0.787 . . . . 10.0 109.79 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.1 mm -76.66 -40.59 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.291 -0.881 . . . . 10.0 109.841 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.63 -38.9 89.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.582 -0.699 . . . . 10.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -51.82 65.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.101 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.577 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 75.8 t -62.44 -34.44 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.414 -0.804 . . . . 10.0 109.867 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -43.85 95.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.436 -0.79 . . . . 10.0 109.443 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -62.31 -41.48 98.56 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.433 -0.792 . . . . 10.0 109.052 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.13 -23.58 66.64 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.547 -0.721 . . . . 10.0 110.276 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -97.03 -18.98 19.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.465 -0.772 . . . . 10.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -108.65 7.77 26.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.026 -1.046 . . . . 10.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -102.73 -38.51 7.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 10.0 110.269 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.458 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 41.0 p-90 -65.23 -26.08 67.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.258 -0.901 . . . . 10.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -70.44 -51.32 30.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.102 -0.999 . . . . 10.0 109.952 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -56.81 -24.61 52.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.458 -0.776 . . . . 10.0 110.903 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.17 -36.16 12.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.206 -0.934 . . . . 10.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -98.08 20.32 12.54 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.268 -0.895 . . . . 10.0 111.272 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.143 -0.973 . . . . 10.0 110.045 179.621 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 120.648 0.261 . . . . 10.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 3.8 mpt_? -57.61 -39.59 77.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.359 -0.838 . . . . 10.0 109.864 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.92 -22.43 62.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.663 -0.648 . . . . 10.0 110.572 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.11 -30.68 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.256 -0.903 . . . . 10.0 109.608 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.447 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 53.6 m0 -60.68 -39.03 86.91 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.354 -0.841 . . . . 10.0 110.334 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.21 -47.86 72.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.496 -0.752 . . . . 10.0 110.24 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.605 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -55.51 -34.84 64.99 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.508 -0.745 . . . . 10.0 109.981 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.0 mm -73.31 -40.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 10.0 109.962 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.58 -37.37 86.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.473 -0.767 . . . . 10.0 110.35 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.79 -50.93 71.48 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.508 -0.745 . . . . 10.0 109.812 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.605 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 55.5 t -65.38 -31.92 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.508 -0.745 . . . . 10.0 109.464 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -41.64 83.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.494 -0.754 . . . . 10.0 109.35 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 m -63.86 -41.13 97.86 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.575 -0.703 . . . . 10.0 109.415 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.28 -40.52 90.7 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.63 -38.09 89.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.698 -0.626 . . . . 10.0 109.895 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -62.19 -42.0 98.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.32 -0.863 . . . . 10.0 109.815 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -67.14 -36.53 82.06 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.522 -0.736 . . . . 10.0 109.82 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.508 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 5.9 t90 -67.2 -37.15 83.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.467 -0.771 . . . . 10.0 109.645 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.508 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -57.24 -33.34 67.47 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.597 -0.69 . . . . 10.0 110.179 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.94 -31.84 21.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.35 -0.844 . . . . 10.0 109.641 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.97 65.66 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 10.0 109.356 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -28.19 35.21 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.674 -0.641 . . . . 10.0 109.526 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.14 0 CA-C-O 121.53 0.681 . . . . 10.0 111.011 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.845 HD13 ' HB ' ' A' ' 8' ' ' ILE . 1.6 mm? . . . . . 0 N--CA 1.5 2.032 0 CA-C-O 121.092 0.473 . . . . 10.0 110.944 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -81.0 -55.76 4.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.179 -0.951 . . . . 10.0 109.611 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -103.02 18.06 22.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.451 -0.781 . . . . 10.0 110.004 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.845 ' HB ' HD13 ' A' ' 5' ' ' LEU . 2.4 mt -107.26 -38.22 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.274 -0.892 . . . . 10.0 109.81 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.536 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -58.95 -41.4 87.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.487 -0.758 . . . . 10.0 110.199 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -47.61 77.59 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.561 -0.712 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -61.8 -33.74 74.67 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.561 -0.712 . . . . 10.0 109.722 179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.3 mm -79.88 -34.64 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.286 -0.884 . . . . 10.0 109.77 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.3 t -59.59 -45.46 91.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.563 -0.711 . . . . 10.0 110.535 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.83 -48.01 80.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 10.0 109.809 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.588 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 70.2 t -62.75 -36.95 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.609 -0.682 . . . . 10.0 109.818 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -37.34 86.93 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.561 -0.712 . . . . 10.0 109.976 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -43.62 97.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.519 -0.738 . . . . 10.0 109.518 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.45 -39.6 91.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.627 -0.671 . . . . 10.0 109.245 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.79 -33.89 77.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.67 -0.644 . . . . 10.0 110.134 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -66.25 -46.81 75.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.36 -0.837 . . . . 10.0 109.64 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -63.47 -40.58 97.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 10.0 109.79 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.552 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 24.5 t90 -62.76 -43.36 99.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.664 -0.648 . . . . 10.0 109.925 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.552 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -60.52 -40.99 93.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.52 -0.738 . . . . 10.0 110.226 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -40.32 96.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 10.0 109.905 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.61 83.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 10.0 110.174 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -60.61 -34.44 74.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.553 -0.717 . . . . 10.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.629 -0.67 . . . . 10.0 110.175 179.736 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.509 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.5 2.03 0 CA-C-O 120.965 0.412 . . . . 10.0 110.392 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -34.84 72.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.459 -0.776 . . . . 10.0 110.279 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -30.01 11.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.563 -0.711 . . . . 10.0 110.425 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.509 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.98 -30.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.375 -0.828 . . . . 10.0 110.309 179.758 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -65.78 -37.85 87.43 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.202 -0.936 . . . . 10.0 109.404 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.65 -44.52 96.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.48 -0.763 . . . . 10.0 109.926 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -36.53 84.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.475 -0.765 . . . . 10.0 109.681 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.9 mm -75.98 -40.17 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.234 -0.916 . . . . 10.0 109.853 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 t -62.34 -32.55 73.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.43 -0.794 . . . . 10.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -50.95 70.38 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.303 -0.873 . . . . 10.0 109.911 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.47 -24.06 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.476 -0.765 . . . . 10.0 110.392 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.4 -24.9 34.18 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.205 -0.934 . . . . 10.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -56.12 17.43 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.169 -0.957 . . . . 10.0 110.608 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 21' ' ' THR . 3.9 p30 -61.39 -27.88 68.85 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.221 -0.925 . . . . 10.0 109.794 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -77.91 -38.11 46.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.413 -0.805 . . . . 10.0 109.619 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -77.88 -37.89 47.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 10.0 110.363 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 18' ' ' ASP . 1.5 t -60.69 -34.98 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.315 -0.866 . . . . 10.0 110.064 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.848 ' HE3' HD22 ' A' ' 23' ' ' LEU . 69.2 t90 -74.63 -44.02 52.55 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.79 . . . . 10.0 109.119 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.848 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.537 -0.727 . . . . 10.0 110.057 179.686 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -65.13 -28.96 69.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.529 -0.732 . . . . 10.0 110.415 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.01 79.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.261 -0.899 . . . . 10.0 109.741 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -11.91 41.39 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.51 -0.744 . . . . 10.0 110.661 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.502 -0.749 . . . . 10.0 110.221 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.772 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 120.715 0.293 . . . . 10.0 110.607 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -65.9 -14.07 60.84 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.22 -0.925 . . . . 10.0 110.915 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.36 -42.6 3.3 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.192 -0.943 . . . . 10.0 109.876 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.772 HG22 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tt -64.04 -26.42 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.658 -0.651 . . . . 10.0 110.999 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -71.02 -23.79 62.23 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.181 -0.949 . . . . 10.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.422 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -78.35 -35.73 47.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.865 . . . . 10.0 109.404 179.248 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.447 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -64.2 -32.57 74.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.692 . . . . 10.0 109.43 178.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.2 mm -89.18 -31.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.189 -0.945 . . . . 10.0 110.272 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.82 -43.04 38.06 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.159 -0.963 . . . . 10.0 110.411 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.3 -45.79 91.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.33 -0.856 . . . . 10.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.05 -31.54 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.393 -0.817 . . . . 10.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 -23.0 30.48 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.298 -0.876 . . . . 10.0 110.172 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -62.31 -53.41 55.43 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.191 -0.943 . . . . 10.0 110.055 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -34.51 73.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.419 -0.801 . . . . 10.0 109.278 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.44 -36.46 60.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.694 -0.629 . . . . 10.0 110.453 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -70.82 -42.91 69.63 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.445 -0.785 . . . . 10.0 110.324 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.1 m -57.09 -42.71 81.26 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.739 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.839 ' HE3' HD22 ' A' ' 23' ' ' LEU . 56.1 t90 -70.6 -44.82 66.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.56 -0.713 . . . . 10.0 109.523 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.839 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -62.1 -37.92 86.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.445 -0.784 . . . . 10.0 110.247 179.659 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -77.09 -38.33 52.61 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.438 -0.789 . . . . 10.0 109.974 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.45 87.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.473 -0.767 . . . . 10.0 109.625 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.0 tmtm? -84.43 -22.86 30.22 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.636 -0.665 . . . . 10.0 110.084 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.503 2.182 0 CA-C-O 121.579 0.704 . . . . 10.0 111.065 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.0 mt . . . . . 0 N--CA 1.508 2.429 0 CA-C-O 120.748 0.309 . . . . 10.0 110.633 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.32 -30.93 52.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.415 -0.803 . . . . 10.0 109.995 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.7 -19.71 18.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.558 -0.713 . . . . 10.0 111.11 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 5' ' ' LEU . 3.3 tp -61.32 -29.94 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.082 -1.011 . . . . 10.0 110.582 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -74.89 -37.24 62.17 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.246 -0.908 . . . . 10.0 109.293 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.663 -0.648 . . . . 10.0 109.735 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.44 -38.12 86.03 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.525 -0.734 . . . . 10.0 110.116 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.0 mm -81.09 -39.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.152 -0.967 . . . . 10.0 110.198 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.77 -39.41 91.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 10.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -63.9 -46.75 83.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.277 -0.89 . . . . 10.0 110.165 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.05 -36.94 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.502 -0.749 . . . . 10.0 109.995 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -44.8 79.89 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.426 -0.796 . . . . 10.0 110.378 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -40.31 96.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.381 -0.824 . . . . 10.0 109.763 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.02 -40.92 86.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.606 -0.684 . . . . 10.0 109.224 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.65 -37.86 87.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.674 -0.641 . . . . 10.0 109.877 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -71.93 -42.04 67.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.454 -0.779 . . . . 10.0 109.73 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 m -62.1 -41.34 98.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.61 -0.681 . . . . 10.0 109.617 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.566 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.7 t90 -63.25 -42.94 99.23 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.624 -0.672 . . . . 10.0 109.99 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.68 -38.67 91.99 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.304 -0.873 . . . . 10.0 110.538 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -72.96 -42.38 63.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.408 -0.807 . . . . 10.0 110.356 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.73 63.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.493 -0.754 . . . . 10.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -29.69 63.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.897 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.187 -0.946 . . . . 10.0 110.299 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.454 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 120.909 0.385 . . . . 10.0 110.383 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -34.09 59.25 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.511 -0.743 . . . . 10.0 110.295 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.59 -36.02 11.41 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.67 -0.644 . . . . 10.0 109.669 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.2 -30.73 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.579 -0.701 . . . . 10.0 110.68 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.45 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 41.5 m0 -68.14 -43.44 78.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.198 -0.939 . . . . 10.0 109.961 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.89 -39.84 94.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.56 -0.712 . . . . 10.0 110.204 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.52 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.42 -34.58 69.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.39 -0.819 . . . . 10.0 109.843 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.52 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.9 mm -91.57 -33.41 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.181 -0.95 . . . . 10.0 110.345 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.43 -46.25 64.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 10.0 110.268 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -37.13 75.26 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.389 -0.819 . . . . 10.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 p -86.27 -12.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.848 . . . . 10.0 111.639 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -108.55 -30.05 8.45 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.879 -1.138 . . . . 10.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -60.35 -46.13 91.02 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.109 -0.994 . . . . 10.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.75 -30.79 69.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.329 -0.857 . . . . 10.0 109.869 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.66 -40.48 16.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.57 -0.707 . . . . 10.0 110.452 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -44.07 62.92 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.482 -0.761 . . . . 10.0 110.659 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 m -59.36 -43.62 92.82 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.467 -0.771 . . . . 10.0 110.049 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.819 ' HE3' HD22 ' A' ' 23' ' ' LEU . 77.5 t90 -66.62 -43.55 84.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.407 -0.808 . . . . 10.0 109.808 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.819 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -58.13 -39.71 79.42 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 10.0 110.045 179.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -69.39 -33.26 72.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 10.0 110.259 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.02 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.494 -0.754 . . . . 10.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -27.41 21.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 10.0 110.53 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.315 -0.866 . . . . 10.0 110.662 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.973 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 120.738 0.304 . . . . 10.0 111.164 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -60.48 -25.8 66.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 10.0 110.818 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -119.17 -29.99 5.08 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.301 -0.874 . . . . 10.0 110.908 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.973 HG22 ' HA ' ' A' ' 5' ' ' LEU . 5.7 tt -65.75 -24.85 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.163 -0.961 . . . . 10.0 111.126 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -32.69 72.78 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.084 -1.01 . . . . 10.0 109.718 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.08 -37.44 82.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.431 -0.793 . . . . 10.0 109.702 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.553 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -54.96 -45.83 74.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.447 -0.783 . . . . 10.0 109.226 178.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.1 mp -84.75 -39.6 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.264 -0.897 . . . . 10.0 110.584 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 t -66.7 -44.29 82.1 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.399 -0.813 . . . . 10.0 111.114 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.63 -44.24 97.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.395 -0.815 . . . . 10.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.94 -37.44 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.507 -0.746 . . . . 10.0 110.143 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -38.28 89.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.493 -0.754 . . . . 10.0 110.283 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.53 88.22 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.434 -0.791 . . . . 10.0 110.164 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.88 -36.2 83.13 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.433 -0.792 . . . . 10.0 109.699 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.61 -14.83 59.54 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.523 -0.736 . . . . 10.0 110.706 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -30.52 10.81 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.089 -1.007 . . . . 10.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 t -61.26 -38.59 87.26 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.46 -0.775 . . . . 10.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.615 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 9.4 p-90 -76.94 -28.91 55.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 10.0 109.965 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.615 HD22 ' CZ2' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -58.42 -45.01 89.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.482 -0.761 . . . . 10.0 109.555 179.347 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -73.07 -36.16 66.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.562 -0.711 . . . . 10.0 109.737 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.18 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.465 -0.772 . . . . 10.0 109.674 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -86.22 -23.52 26.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.492 -0.755 . . . . 10.0 110.017 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.919 0 O-C-N 121.555 -0.716 . . . . 10.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 120.841 0.353 . . . . 10.0 110.631 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -6.2 56.29 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.227 -0.921 . . . . 10.0 110.4 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -115.48 -37.96 3.88 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.391 -0.818 . . . . 10.0 109.737 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 5' ' ' LEU . 13.9 tt -66.19 -22.45 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.443 -0.785 . . . . 10.0 110.997 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -63.01 -23.33 67.4 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.313 -0.867 . . . . 10.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.58 -36.71 83.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.243 -0.911 . . . . 10.0 109.456 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.56 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.9 -48.15 82.46 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.919 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.6 mp -75.74 -27.31 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.876 . . . . 10.0 110.157 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.1 t -58.23 -45.44 87.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.36 -0.838 . . . . 10.0 110.26 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.76 -45.81 67.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 10.0 109.913 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 50.2 t -62.51 -34.87 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.566 -0.709 . . . . 10.0 110.103 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -32.97 73.98 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.43 -0.794 . . . . 10.0 110.178 179.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.498 -0.751 . . . . 10.0 109.731 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 21' ' ' THR . 21.5 m-20 -64.74 -28.32 69.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.523 -0.736 . . . . 10.0 109.809 178.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -87.43 -24.19 24.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.428 -0.795 . . . . 10.0 110.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -93.77 -18.76 21.72 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.336 -0.852 . . . . 10.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 18' ' ' ASP . 13.5 t -55.66 -35.32 65.84 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.239 -0.913 . . . . 10.0 110.084 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.635 ' HE3' HD22 ' A' ' 23' ' ' LEU . 82.4 t90 -70.37 -38.49 74.76 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.448 -0.782 . . . . 10.0 109.563 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.635 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.16 -39.44 78.87 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.525 -0.734 . . . . 10.0 109.597 179.435 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -64.77 -38.86 92.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.498 -0.751 . . . . 10.0 109.544 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -43.57 69.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 10.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.16 65.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 10.0 110.481 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.447 -0.783 . . . . 10.0 110.487 179.822 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.728 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.1 mp . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 120.746 0.308 . . . . 10.0 110.983 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -66.44 -36.47 82.87 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.378 -0.826 . . . . 10.0 110.339 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -97.94 -21.44 16.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.823 . . . . 10.0 110.778 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -77.79 6.41 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.037 -1.039 . . . . 10.0 111.082 179.859 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.494 ' O ' HG22 ' A' ' 12' ' ' ILE . 61.6 t90 -109.99 -47.6 3.31 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.076 -1.015 . . . . 10.0 109.036 178.629 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.06 -38.47 90.9 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.454 -0.779 . . . . 10.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CE2' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -62.98 -23.08 67.26 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.527 -0.733 . . . . 10.0 110.171 179.177 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.571 HD13 ' CE2' ' A' ' 11' ' ' TRP . 1.4 tp -93.68 -18.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.394 -0.816 . . . . 10.0 110.691 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.32 -42.88 14.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.158 -0.964 . . . . 10.0 110.354 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.32 -45.47 80.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 10.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.59 -29.78 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.447 -0.783 . . . . 10.0 109.957 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -37.87 89.05 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.497 -0.752 . . . . 10.0 109.766 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -57.27 -49.84 74.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.735 . . . . 10.0 109.909 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.9 -43.69 69.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.667 -0.646 . . . . 10.0 109.593 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -39.78 71.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.642 -0.661 . . . . 10.0 110.046 179.098 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -63.71 -44.9 92.25 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -0.821 . . . . 10.0 109.923 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -58.59 -40.43 83.2 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.541 -0.724 . . . . 10.0 109.812 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.569 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 53.5 t90 -65.32 -42.72 92.67 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.579 -0.7 . . . . 10.0 109.79 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.569 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.98 -44.04 70.25 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.474 -0.766 . . . . 10.0 110.533 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.06 -39.36 93.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 10.0 110.252 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.06 -35.53 80.05 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.512 -0.742 . . . . 10.0 110.371 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -72.49 -31.51 65.44 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.357 -0.839 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 N--CA 1.497 1.901 0 O-C-N 121.416 -0.802 . . . . 10.0 110.228 -179.946 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.505 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 pp . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 121.195 0.521 . . . . 10.0 110.608 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.19 -46.74 10.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.213 -0.93 . . . . 10.0 110.023 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -110.1 17.55 20.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.753 . . . . 10.0 110.823 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mt -107.01 -36.97 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.16 -0.963 . . . . 10.0 109.855 179.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.472 ' CH2' HD13 ' A' ' 5' ' ' LEU . 23.0 m0 -63.89 -44.68 92.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.551 -0.718 . . . . 10.0 110.318 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.45 -41.4 89.58 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.462 -0.774 . . . . 10.0 110.447 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.09 -31.51 71.19 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.51 -0.744 . . . . 10.0 110.477 179.896 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.664 HG23 HD12 ' A' ' 16' ' ' LEU . 3.8 mm -93.23 -42.76 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.1 -1.0 . . . . 10.0 110.607 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -63.83 -35.31 80.2 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.37 -0.832 . . . . 10.0 111.138 -179.551 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.79 -36.52 76.9 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.983 -1.073 . . . . 10.0 110.635 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.9 t -92.1 -22.71 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.403 -0.811 . . . . 10.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.664 HD12 HG23 ' A' ' 12' ' ' ILE . 4.0 mt -89.72 -43.92 10.36 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.995 -1.065 . . . . 10.0 111.14 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -60.92 -47.66 85.39 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.354 -0.841 . . . . 10.0 110.617 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.15 -40.03 84.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.409 -0.807 . . . . 10.0 109.669 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.97 -34.86 78.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.606 -0.684 . . . . 10.0 110.1 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -44.82 68.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.386 -0.821 . . . . 10.0 109.771 179.475 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.52 -39.6 73.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.506 -0.746 . . . . 10.0 109.798 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.562 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 25.6 t90 -59.78 -41.99 92.33 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.538 -0.726 . . . . 10.0 110.129 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.49 -49.99 69.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 10.0 110.658 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -34.47 77.25 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.436 -0.79 . . . . 10.0 110.749 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -23.6 67.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.44 -0.788 . . . . 10.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 2.1 tppt? -108.41 -36.62 6.19 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.122 -0.986 . . . . 10.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 N--CA 1.497 1.9 0 O-C-N 121.288 -0.883 . . . . 10.0 110.425 -179.829 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.501 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.498 1.934 0 CA-C-O 120.731 0.301 . . . . 10.0 110.827 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -15.07 44.64 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.232 -0.918 . . . . 10.0 110.463 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' HA ' ' OD1' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -122.85 12.39 9.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.419 -0.8 . . . . 10.0 110.382 179.513 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 5' ' ' LEU . 6.2 tt -107.5 -34.15 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.12 -0.987 . . . . 10.0 110.709 179.364 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.407 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -72.62 -43.88 62.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.356 -0.84 . . . . 10.0 109.371 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 p-10 -55.48 -36.78 67.01 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.611 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -65.2 -51.01 63.66 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.52 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.71 -32.07 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.607 -0.683 . . . . 10.0 110.58 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -66.45 -38.24 86.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 10.0 110.199 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.05 -46.27 78.38 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.612 -0.68 . . . . 10.0 109.928 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.81 -29.26 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.654 -0.653 . . . . 10.0 110.257 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -28.84 42.7 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.36 -0.838 . . . . 10.0 110.103 179.39 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -48.7 72.37 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.334 -0.854 . . . . 10.0 110.08 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.506 ' O ' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -66.1 -23.16 66.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.295 -0.878 . . . . 10.0 109.941 179.084 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -38.13 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.418 -0.801 . . . . 10.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -79.98 -32.5 39.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.584 -0.698 . . . . 10.0 110.77 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 18' ' ' ASP . 6.1 t -56.98 -34.7 68.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.27 -0.894 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.562 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.9 t90 -66.86 -41.28 87.59 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.412 -0.805 . . . . 10.0 109.677 179.249 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -66.52 -42.17 87.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.449 -0.782 . . . . 10.0 110.284 179.64 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -41.63 84.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.538 -0.726 . . . . 10.0 110.402 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.48 73.88 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 10.0 110.479 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -43.23 18.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.372 -0.83 . . . . 10.0 110.105 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.508 -0.745 . . . . 10.0 110.316 179.816 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 8' ' ' ILE . 3.6 mm? . . . . . 0 N--CA 1.498 1.961 0 CA-C-O 120.763 0.316 . . . . 10.0 110.994 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.23 -21.01 66.28 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.135 -0.978 . . . . 10.0 111.092 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -105.75 -19.87 13.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 10.0 111.116 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.701 HG21 HD13 ' A' ' 5' ' ' LEU . 11.7 tt -66.3 -17.63 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.185 -0.947 . . . . 10.0 111.412 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -35.96 82.05 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.028 -1.045 . . . . 10.0 109.642 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.28 -37.1 61.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.677 -0.639 . . . . 10.0 110.137 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.57 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -60.2 -49.62 76.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 10.0 109.27 178.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' HA ' HG12 ' A' ' 15' ' ' VAL . 2.6 mp -77.26 -29.29 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.364 -0.835 . . . . 10.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.6 t -59.39 -39.48 83.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.282 -0.886 . . . . 10.0 110.149 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.27 -56.58 10.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.512 -0.743 . . . . 10.0 110.068 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 12' ' ' ILE . 10.5 p -62.22 -29.17 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.398 -0.814 . . . . 10.0 110.359 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 3.6 tt -62.18 -41.08 97.98 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.232 -0.918 . . . . 10.0 109.401 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -64.39 -37.91 89.18 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.606 -0.684 . . . . 10.0 109.372 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -61.74 -43.98 97.8 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 178.301 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -61.76 -35.52 78.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.678 -0.639 . . . . 10.0 109.506 178.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -38.38 90.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.397 -0.814 . . . . 10.0 109.09 178.622 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -63.49 -40.43 97.07 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.629 ' CE3' HD22 ' A' ' 23' ' ' LEU . 82.7 t90 -66.43 -40.1 89.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 10.0 109.269 178.604 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.629 HD22 ' CE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -56.77 -38.11 72.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.567 -0.708 . . . . 10.0 109.538 179.251 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.8 89.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 10.0 109.139 178.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.75 84.58 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -66.93 -32.75 74.2 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.573 -0.704 . . . . 10.0 109.453 178.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 27' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.533 -0.729 . . . . 10.0 109.643 179.221 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 8' ' ' ILE . 1.2 mp . . . . . 0 N--CA 1.5 2.026 0 CA-C-O 120.782 0.325 . . . . 10.0 111.596 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -35.12 11.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.18 -0.95 . . . . 10.0 109.506 179.017 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.44 -20.05 18.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.702 -0.624 . . . . 10.0 110.138 179.244 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.521 HG21 ' HG ' ' A' ' 5' ' ' LEU . 13.8 tt -61.6 -25.93 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.318 -0.864 . . . . 10.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -57.09 -35.47 69.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.272 -0.892 . . . . 10.0 110.529 -179.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.64 -39.23 57.73 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 10.0 110.331 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.544 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -60.18 -53.25 59.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.609 -0.682 . . . . 10.0 109.765 179.387 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.68 -30.52 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.449 -0.782 . . . . 10.0 110.269 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.63 -39.07 79.47 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.416 -0.802 . . . . 10.0 110.026 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -67.56 -48.72 66.11 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 10.0 109.686 179.257 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.84 -35.19 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.603 -0.686 . . . . 10.0 109.74 179.206 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.79 -26.21 66.85 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.49 -0.756 . . . . 10.0 110.078 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.425 -0.797 . . . . 10.0 109.726 179.224 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.83 -42.26 97.39 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.998 -0.742 . . . . 10.0 108.998 178.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.35 -35.76 80.04 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.732 -0.605 . . . . 10.0 109.737 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -61.82 -42.34 98.9 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.42 -0.8 . . . . 10.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 m -66.42 -42.69 87.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.604 -0.685 . . . . 10.0 109.692 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -62.43 -42.93 99.81 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.586 -0.696 . . . . 10.0 109.811 179.302 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 23' ' ' LEU . 4.6 tp -71.77 -37.92 70.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.543 -0.723 . . . . 10.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -70.42 -33.85 71.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.284 -0.885 . . . . 10.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.69 85.08 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.461 -0.774 . . . . 10.0 110.212 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -22.64 31.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.457 -0.777 . . . . 10.0 110.489 179.628 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.083 0 O-C-N 121.799 -0.563 . . . . 10.0 110.472 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 CA-C-O 120.797 0.332 . . . . 10.0 110.973 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -28.43 68.21 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.213 -0.929 . . . . 10.0 109.804 179.044 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -100.47 -32.55 10.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.823 -0.548 . . . . 10.0 110.202 179.633 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.503 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 1.2 tt -59.63 -37.19 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.487 -0.758 . . . . 10.0 110.487 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -35.37 80.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.969 -1.082 . . . . 10.0 109.301 178.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.49 -41.88 92.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.744 -0.597 . . . . 10.0 109.827 179.06 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.626 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -63.58 -33.84 76.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 10.0 109.789 179.549 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.8 mm -79.97 -14.44 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 10.0 110.684 179.121 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t -94.04 -10.48 33.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.985 -1.072 . . . . 10.0 111.456 -179.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -102.25 -55.07 2.55 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.996 -1.065 . . . . 10.0 110.66 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.626 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 80.7 t -57.54 -37.42 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.51 -0.744 . . . . 10.0 110.834 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.37 -42.53 75.06 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.369 -0.832 . . . . 10.0 110.197 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 -40.55 83.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.466 -0.771 . . . . 10.0 109.649 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.84 -38.11 89.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.48 -0.763 . . . . 10.0 109.331 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.81 -39.33 61.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.625 -0.672 . . . . 10.0 110.196 179.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -68.39 -48.68 64.06 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.278 -0.889 . . . . 10.0 109.656 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.4 m -61.5 -41.15 96.86 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.587 -0.696 . . . . 10.0 109.83 179.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.503 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 12.7 t90 -65.81 -38.79 89.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 10.0 110.254 179.497 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -60.37 -47.98 83.72 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.362 -0.836 . . . . 10.0 110.264 -179.81 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -37.38 78.43 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 10.0 109.877 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.458 -0.776 . . . . 10.0 109.942 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.01 44.93 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.564 -0.71 . . . . 10.0 110.106 179.475 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 27' ' ' LEU . 72.6 mt . . . . . 0 N--CA 1.495 1.789 0 O-C-N 121.344 -0.848 . . . . 10.0 110.039 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.484 ' O ' HG22 ' A' ' 8' ' ' ILE . 4.5 tp . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.625 0.25 . . . . 10.0 111.234 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.4 74.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.968 -1.082 . . . . 10.0 110.079 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -79.55 -38.94 33.01 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.561 -0.712 . . . . 10.0 110.394 179.626 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 5' ' ' LEU . 6.5 tt -71.7 -26.69 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.218 -0.927 . . . . 10.0 110.649 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -60.09 -38.07 81.81 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.3 -0.875 . . . . 10.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.76 -39.36 68.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.564 -0.71 . . . . 10.0 110.213 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.545 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.28 -49.89 75.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.62 -0.675 . . . . 10.0 109.507 179.132 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 10.0 110.044 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -57.71 -42.18 83.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.465 -0.772 . . . . 10.0 110.203 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -47.23 82.72 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.477 -0.764 . . . . 10.0 109.691 179.314 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.99 -35.63 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.651 -0.655 . . . . 10.0 109.707 179.229 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.16 -42.43 80.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.503 -0.748 . . . . 10.0 109.777 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 10.0 109.511 179.081 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -41.1 87.88 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.805 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.57 -36.76 79.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.68 -0.638 . . . . 10.0 110.043 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.427 -0.796 . . . . 10.0 109.761 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.0 m -66.0 -39.9 90.69 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.576 -0.703 . . . . 10.0 109.517 179.017 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.592 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 45.7 t90 -65.53 -46.54 79.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.646 -0.659 . . . . 10.0 109.567 179.305 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -66.54 -44.17 83.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.48 -0.762 . . . . 10.0 109.982 179.69 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -60.98 -37.4 82.31 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.509 -0.744 . . . . 10.0 109.923 179.399 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.18 -35.59 61.56 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.527 -0.733 . . . . 10.0 110.233 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -80.53 -6.87 58.85 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.276 -0.89 . . . . 10.0 110.976 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.104 -0.997 . . . . 10.0 110.973 -179.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.501 2.082 0 N-CA-C 111.916 0.339 . . . . 10.0 111.916 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 ttm105 -68.03 -19.73 64.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.006 -1.059 . . . . 10.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.85 -30.51 8.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 10.0 111.238 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.52 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -60.58 -34.93 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.102 -0.999 . . . . 10.0 110.536 -179.681 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.446 ' CZ3' HD12 ' A' ' 5' ' ' LEU . 25.0 m0 -79.75 -33.29 40.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.208 -0.932 . . . . 10.0 109.35 178.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.9 -38.36 88.05 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.616 -0.678 . . . . 10.0 110.034 179.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.521 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -56.14 -33.97 65.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.509 -0.744 . . . . 10.0 109.992 179.476 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 11' ' ' TRP . 2.6 mm -94.14 -39.16 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.154 -0.966 . . . . 10.0 110.158 179.234 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.18 -43.25 74.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.437 -0.789 . . . . 10.0 110.889 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.28 -46.53 83.29 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.377 -0.827 . . . . 10.0 110.357 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.1 t -58.1 -36.6 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.373 -0.83 . . . . 10.0 110.235 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -40.08 33.85 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -0.774 . . . . 10.0 109.977 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 7.8 t -64.69 -41.02 96.34 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.41 -0.806 . . . . 10.0 110.365 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -30.73 71.34 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.24 -0.912 . . . . 10.0 109.626 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -78.08 -38.63 43.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.493 -0.754 . . . . 10.0 110.411 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -63.55 -28.35 69.88 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.383 -0.823 . . . . 10.0 110.671 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.525 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 83.3 m -82.91 -37.58 24.03 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.233 -0.917 . . . . 10.0 109.376 179.225 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.565 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 19.5 t90 -64.36 -40.96 96.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.561 -0.712 . . . . 10.0 109.559 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.95 -47.44 80.44 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.498 -0.751 . . . . 10.0 110.107 179.694 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -64.69 -45.88 84.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.559 -0.713 . . . . 10.0 109.61 179.34 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.93 94.85 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.655 -0.653 . . . . 10.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -60.63 -36.35 78.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.484 -0.76 . . . . 10.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.763 0 O-C-N 121.638 -0.664 . . . . 10.0 110.018 179.445 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.617 ' HA ' HG22 ' A' ' 8' ' ' ILE . 3.5 mm? . . . . . 0 N--CA 1.506 2.368 0 CA-C-O 120.677 0.275 . . . . 10.0 110.666 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -24.57 53.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.178 -0.951 . . . . 10.0 110.017 178.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -101.29 -35.23 9.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.462 -0.774 . . . . 10.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.617 HG22 ' HA ' ' A' ' 5' ' ' LEU . 10.4 tt -63.39 -31.93 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.134 -0.979 . . . . 10.0 110.332 179.728 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.45 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 44.2 m0 -64.62 -37.63 88.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.407 -0.808 . . . . 10.0 109.659 179.531 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.98 -40.32 76.3 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.731 -0.606 . . . . 10.0 109.633 179.066 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.566 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.53 -49.93 74.74 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 179.136 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.4 mt -73.62 -26.81 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.44 -0.788 . . . . 10.0 109.86 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.79 -46.5 81.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.419 -0.8 . . . . 10.0 110.235 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -45.69 65.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 109.885 179.347 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.01 -34.35 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.506 -0.746 . . . . 10.0 110.409 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -85.23 -27.47 26.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.421 -0.799 . . . . 10.0 110.757 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.4 t -59.35 -49.05 79.29 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.335 -0.853 . . . . 10.0 110.665 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -56.34 -39.47 72.89 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.311 -0.868 . . . . 10.0 109.557 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' O ' HD23 ' A' ' 23' ' ' LEU . 31.6 t80 -64.87 -30.81 71.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.612 -0.68 . . . . 10.0 109.842 178.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.3 tptp -84.75 -30.12 24.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 10.0 110.237 179.474 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -53.81 -48.75 69.57 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.336 -0.853 . . . . 10.0 109.193 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.658 ' HE3' HD22 ' A' ' 23' ' ' LEU . 80.6 t90 -70.39 -39.19 74.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.491 -0.756 . . . . 10.0 108.982 178.489 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.658 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.9 -35.11 72.49 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.646 -0.659 . . . . 10.0 109.698 179.132 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -68.51 -34.48 75.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.379 -0.826 . . . . 10.0 109.903 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.48 -47.02 77.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.422 -0.799 . . . . 10.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.96 -19.85 53.78 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.359 -0.838 . . . . 10.0 111.231 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.965 0 O-C-N 121.017 -1.052 . . . . 10.0 110.132 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.497 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.075 0 CA-C-O 121.086 0.469 . . . . 10.0 111.303 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -96.14 -40.63 9.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.212 -0.93 . . . . 10.0 109.6 179.045 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.16 -18.97 18.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 10.0 110.34 179.424 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.508 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 15.8 tt -62.4 -28.84 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.265 -0.897 . . . . 10.0 110.741 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -74.53 -41.23 60.98 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.189 -0.944 . . . . 10.0 109.583 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.15 -46.38 87.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.615 -0.678 . . . . 10.0 110.254 179.765 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.508 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -59.64 -36.78 77.06 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.543 -0.723 . . . . 10.0 109.978 179.746 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.1 mm -71.7 -37.78 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.302 -0.874 . . . . 10.0 109.847 179.265 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.98 -35.68 81.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.586 -0.696 . . . . 10.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -42.17 89.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.538 -0.726 . . . . 10.0 109.914 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.1 t -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.5 -0.75 . . . . 10.0 109.681 179.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -42.51 96.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.445 -0.785 . . . . 10.0 110.489 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -63.26 -40.12 96.53 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.432 -0.792 . . . . 10.0 109.651 179.476 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -41.07 96.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 10.0 109.185 178.547 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -70.37 -36.85 74.39 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.674 -0.642 . . . . 10.0 109.608 178.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -43.88 92.16 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.63 -0.669 . . . . 10.0 109.641 179.225 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.6 m -61.42 -43.62 98.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.566 -0.709 . . . . 10.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.802 ' HE3' HD22 ' A' ' 23' ' ' LEU . 89.1 t90 -66.23 -38.88 88.96 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.623 -0.673 . . . . 10.0 109.784 179.072 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.802 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.36 -37.46 87.12 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.449 -0.782 . . . . 10.0 110.184 179.455 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -41.28 98.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.445 -0.785 . . . . 10.0 109.895 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.6 84.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.584 -0.698 . . . . 10.0 110.033 179.432 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -87.11 -6.21 58.75 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.464 -0.773 . . . . 10.0 110.716 179.45 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.502 2.162 0 O-C-N 121.714 -0.616 . . . . 10.0 110.646 -179.806 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.588 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.212 0 CA-C-O 120.601 0.239 . . . . 10.0 110.704 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.98 -28.16 55.87 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.458 -0.776 . . . . 10.0 110.38 179.519 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.48 -31.3 11.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.385 -0.822 . . . . 10.0 110.451 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 5' ' ' LEU . 2.8 tp -68.93 -31.58 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.042 -1.036 . . . . 10.0 110.146 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -79.05 -39.69 33.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.241 -0.912 . . . . 10.0 109.033 178.744 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -41.62 96.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 10.0 110.175 179.418 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.502 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.1 -38.49 91.4 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.561 -0.712 . . . . 10.0 109.887 179.618 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 3.7 mm -68.87 -33.83 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.276 -0.89 . . . . 10.0 109.765 179.031 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -37.01 81.81 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.856 . . . . 10.0 110.087 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.96 -46.8 88.26 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.567 -0.708 . . . . 10.0 109.799 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -76.52 -24.51 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 110.107 179.283 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 1.1 tt -62.41 -46.47 88.42 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.337 -0.852 . . . . 10.0 110.315 179.704 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 p -64.12 -40.77 96.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.424 -0.798 . . . . 10.0 109.761 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -37.05 82.31 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.656 -0.653 . . . . 10.0 109.346 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.48 -38.76 77.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.718 . . . . 10.0 110.076 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.418 -0.801 . . . . 10.0 109.731 179.366 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -59.91 -40.98 90.67 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.622 -0.674 . . . . 10.0 109.79 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.831 ' HE3' HD22 ' A' ' 23' ' ' LEU . 86.9 t90 -62.82 -39.93 95.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 10.0 109.781 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.831 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -61.03 -46.22 91.61 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.509 -0.744 . . . . 10.0 109.777 179.348 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -63.5 -28.7 70.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.532 -0.73 . . . . 10.0 110.403 179.571 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 22' ' ' TRP . . . -57.24 -35.66 69.98 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.237 -0.914 . . . . 10.0 109.929 179.428 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.91 -34.38 9.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.508 -0.745 . . . . 10.0 110.133 179.269 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.496 1.841 0 O-C-N 121.383 -0.823 . . . . 10.0 110.623 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.623 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.508 2.449 0 CA-C-O 120.502 0.191 . . . . 10.0 111.123 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -64.23 -14.31 54.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.998 -1.064 . . . . 10.0 110.399 178.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -98.12 -39.33 8.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.384 -0.823 . . . . 10.0 109.871 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 5' ' ' LEU . 12.8 tt -61.28 -27.32 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 10.0 110.672 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.488 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 46.3 m0 -64.75 -46.09 83.65 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.195 -0.94 . . . . 10.0 109.529 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -45.37 78.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.711 -0.618 . . . . 10.0 109.743 179.086 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -61.31 -50.03 74.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.763 -0.585 . . . . 10.0 109.614 179.175 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 12' ' ' ILE . 28.9 mm -78.62 2.1 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.297 -0.877 . . . . 10.0 111.441 -179.479 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -110.25 -46.13 3.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.86 -1.15 . . . . 10.0 109.882 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -44.74 21.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.519 -0.738 . . . . 10.0 110.502 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.39 -28.94 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.257 -0.902 . . . . 10.0 110.082 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -21.77 30.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 10.0 110.452 179.524 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -64.16 -61.93 1.94 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.169 -0.957 . . . . 10.0 110.128 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -56.85 -27.28 60.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.343 -0.848 . . . . 10.0 110.256 179.508 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -79.89 -34.54 39.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.302 -0.874 . . . . 10.0 110.432 179.312 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -85.28 -42.03 15.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.246 -0.909 . . . . 10.0 110.458 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.7 m -55.16 -46.54 75.74 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.476 -0.765 . . . . 10.0 109.963 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.817 ' HE3' HD22 ' A' ' 23' ' ' LEU . 75.6 t90 -65.18 -43.53 91.4 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.507 -0.746 . . . . 10.0 109.68 179.179 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -60.54 -41.46 94.53 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.511 -0.743 . . . . 10.0 110.099 179.547 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -60.15 -41.25 92.34 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.504 -0.747 . . . . 10.0 110.19 179.621 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.37 80.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.746 . . . . 10.0 110.255 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -79.86 -27.11 40.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.386 -0.822 . . . . 10.0 110.771 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.932 0 O-C-N 121.374 -0.829 . . . . 10.0 110.654 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.695 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 pt? . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 120.691 0.282 . . . . 10.0 110.923 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.511 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 1.1 mtt85 -76.05 -2.38 30.43 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.338 -0.851 . . . . 10.0 109.986 178.793 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.56 -39.69 2.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.481 -0.762 . . . . 10.0 109.332 179.332 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.695 HG22 ' HA ' ' A' ' 5' ' ' LEU . 10.0 tt -65.06 -33.28 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.59 -0.694 . . . . 10.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -63.54 -24.29 67.75 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.31 -34.13 77.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.311 178.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.569 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -68.75 -48.56 63.44 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.708 -0.62 . . . . 10.0 110.062 179.469 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.407 HG13 ' CD2' ' A' ' 11' ' ' TRP . 3.2 mt -72.81 -48.26 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.333 -0.854 . . . . 10.0 110.394 -179.486 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -58.19 -42.31 85.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.622 -0.674 . . . . 10.0 110.484 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.73 -51.35 68.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.637 -0.665 . . . . 10.0 109.913 179.628 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.88 -32.29 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.475 -0.766 . . . . 10.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -37.67 86.94 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.505 -0.747 . . . . 10.0 110.424 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -60.55 -45.39 94.07 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.451 -0.78 . . . . 10.0 109.74 179.542 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.45 -44.15 97.62 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.543 -0.723 . . . . 10.0 109.116 178.781 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -66.67 -34.1 77.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.781 -0.574 . . . . 10.0 110.404 179.388 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.98 92.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.389 -0.819 . . . . 10.0 110.033 179.823 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -68.07 -41.83 81.35 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.461 -0.774 . . . . 10.0 109.653 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.875 ' HE3' HD22 ' A' ' 23' ' ' LEU . 66.1 t90 -64.4 -44.07 92.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.566 -0.709 . . . . 10.0 110.057 179.506 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.875 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -63.26 -42.5 99.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.453 -0.779 . . . . 10.0 110.2 179.807 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -60.84 -41.37 95.66 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.434 -0.791 . . . . 10.0 110.535 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -23.55 66.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.446 -0.784 . . . . 10.0 110.824 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HD2' ' CH2' ' A' ' 22' ' ' TRP . 4.0 mttp -105.75 -18.14 14.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.323 -0.861 . . . . 10.0 110.853 179.807 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.229 -0.92 . . . . 10.0 110.617 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.693 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.36 0.6 . . . . 10.0 110.564 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -73.46 -37.36 65.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.388 -0.82 . . . . 10.0 109.62 179.102 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.36 -20.15 60.19 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.674 -0.641 . . . . 10.0 110.449 179.263 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.693 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -52.44 -35.71 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.405 -0.809 . . . . 10.0 110.539 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -79.55 -40.39 29.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 10.0 109.196 179.308 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.88 -41.77 97.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.594 -0.691 . . . . 10.0 109.864 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -62.71 -36.79 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.714 . . . . 10.0 109.675 179.395 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.628 ' HA ' HG12 ' A' ' 15' ' ' VAL . 4.2 mm -75.46 -33.48 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.249 -0.907 . . . . 10.0 109.953 179.014 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.84 -19.95 66.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 10.0 110.674 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -99.6 -14.73 18.86 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.37 -0.831 . . . . 10.0 110.96 179.682 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 12' ' ' ILE . 2.6 p -105.06 -0.82 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.102 -0.999 . . . . 10.0 111.34 -179.758 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -107.92 -37.11 6.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.942 -1.099 . . . . 10.0 111.231 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -57.14 -51.72 68.17 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.292 -0.88 . . . . 10.0 110.594 -179.508 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.6 -31.88 66.64 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.375 -0.828 . . . . 10.0 110.088 179.267 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -83.8 -12.19 55.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.516 -0.74 . . . . 10.0 110.873 179.508 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -109.68 3.62 21.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.112 -0.992 . . . . 10.0 110.76 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.7 m -99.16 -39.49 8.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.208 -0.932 . . . . 10.0 110.29 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.477 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.2 p-90 -64.22 -26.04 68.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.227 -0.921 . . . . 10.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.185 -0.947 . . . . 10.0 109.649 178.826 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.0 36.69 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.678 -0.639 . . . . 10.0 109.76 179.339 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.87 92.52 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.418 -0.801 . . . . 10.0 110.163 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -20.52 29.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.439 -0.788 . . . . 10.0 110.375 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.499 1.981 0 O-C-N 121.558 -0.713 . . . . 10.0 110.285 -179.675 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 121.183 0.516 . . . . 10.0 111.257 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -98.06 -40.3 8.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.261 -0.899 . . . . 10.0 109.709 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -19.86 17.99 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.618 -0.676 . . . . 10.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.429 ' O ' HD12 ' A' ' 12' ' ' ILE . 8.2 tt -59.53 -34.04 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.155 -0.966 . . . . 10.0 110.347 179.779 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.6 m0 -67.03 -37.82 84.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.39 -0.819 . . . . 10.0 109.193 179.104 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -57.45 -35.97 70.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.701 -0.624 . . . . 10.0 109.596 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -62.3 -50.19 72.66 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.603 -0.686 . . . . 10.0 109.302 179.115 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.5 mt -71.07 -32.0 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.307 -0.871 . . . . 10.0 109.659 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.0 t -55.68 -42.77 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.493 -0.754 . . . . 10.0 110.17 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.2 -43.9 60.62 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.4 -0.813 . . . . 10.0 109.858 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.76 -34.39 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 10.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.41 -35.48 46.97 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 10.0 110.58 -179.815 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.04 -51.12 65.04 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.214 -0.929 . . . . 10.0 110.555 -179.848 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.21 -40.09 94.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.403 -0.811 . . . . 10.0 109.011 178.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HD1' HD23 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -66.92 -32.92 74.49 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.655 -0.653 . . . . 10.0 109.897 178.878 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -65.63 -43.27 90.01 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.482 -0.761 . . . . 10.0 109.47 179.35 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -59.75 -42.14 92.54 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.62 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.752 ' HE3' HD22 ' A' ' 23' ' ' LEU . 73.7 t90 -65.96 -43.05 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 10.0 109.507 178.726 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.752 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -61.89 -40.92 97.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.51 -0.744 . . . . 10.0 110.095 179.533 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.83 85.34 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.605 -0.684 . . . . 10.0 110.099 179.542 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.85 96.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.695 . . . . 10.0 109.561 179.225 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.18 -36.79 72.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 10.0 109.664 178.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.562 -0.711 . . . . 10.0 109.694 179.488 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 121.022 0.439 . . . . 10.0 111.181 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -44.74 61.57 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.12 -0.987 . . . . 10.0 110.352 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' A' ' 10' ' ' ASP . 8.1 t70 -94.74 -25.93 16.48 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.465 -0.772 . . . . 10.0 110.654 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.535 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -57.46 -37.46 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.992 -1.068 . . . . 10.0 110.167 179.902 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -82.08 -34.2 29.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 10.0 109.131 179.002 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 7' ' ' ASP . 13.8 t70 -68.38 -46.65 69.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.598 -0.689 . . . . 10.0 109.735 179.091 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -57.47 -37.85 73.56 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.627 -0.671 . . . . 10.0 109.424 179.341 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.4 mm -68.21 -37.64 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.458 -0.776 . . . . 10.0 109.612 179.049 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.15 -39.55 94.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.444 -0.785 . . . . 10.0 110.244 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.3 -49.69 66.19 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.434 -0.791 . . . . 10.0 110.433 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.73 -28.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.415 -0.803 . . . . 10.0 110.972 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.43 -33.33 32.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 10.0 110.49 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -58.46 -46.85 85.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.36 -44.27 97.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.436 -0.79 . . . . 10.0 109.175 178.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.71 -29.09 66.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 10.0 110.268 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -47.39 65.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.394 -0.816 . . . . 10.0 110.048 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -60.56 -41.8 95.32 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.47 -0.768 . . . . 10.0 109.832 179.466 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.529 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 65.7 t90 -64.43 -45.4 87.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.569 -0.707 . . . . 10.0 109.896 179.355 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.82 -45.0 68.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.442 -0.786 . . . . 10.0 110.355 179.872 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -38.46 88.12 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.337 -0.852 . . . . 10.0 110.195 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.19 86.56 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.498 -0.751 . . . . 10.0 109.884 179.234 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -79.49 -32.44 42.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.517 -0.739 . . . . 10.0 110.294 179.532 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 27' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 10.0 110.351 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.417 HD23 ' CZ2' ' A' ' 9' ' ' TRP . 6.5 mp . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 120.582 0.23 . . . . 10.0 110.597 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -40.43 66.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.364 -0.835 . . . . 10.0 110.17 179.451 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.56 -28.46 69.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.474 -0.766 . . . . 10.0 110.552 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.06 -31.89 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.35 -0.844 . . . . 10.0 109.48 179.373 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.417 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.21 -41.06 87.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 10.0 110.535 -179.52 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.95 -35.94 82.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.471 -0.768 . . . . 10.0 110.237 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.71 -33.19 69.92 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.443 -0.786 . . . . 10.0 109.811 179.464 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.531 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.6 mm -94.07 -31.34 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.216 -0.928 . . . . 10.0 110.299 179.212 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -74.48 -45.59 45.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.316 -0.865 . . . . 10.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.11 -51.45 69.97 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.518 -0.739 . . . . 10.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.7 -32.22 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.522 -0.736 . . . . 10.0 110.735 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.62 83.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.327 -0.858 . . . . 10.0 109.747 179.298 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -40.92 95.32 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.505 -0.747 . . . . 10.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.12 -37.12 79.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.519 -0.738 . . . . 10.0 109.398 178.719 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -80.83 -10.15 59.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.633 -0.667 . . . . 10.0 111.083 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -109.57 6.16 23.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.043 -1.036 . . . . 10.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -101.97 -40.53 6.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.054 -1.029 . . . . 10.0 110.207 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.43 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 40.2 p-90 -64.05 -26.54 68.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 10.0 111.161 -179.787 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -70.79 -39.11 73.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.114 -0.991 . . . . 10.0 110.075 179.211 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.89 -28.93 62.48 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.564 -0.71 . . . . 10.0 110.527 179.529 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 -33.2 12.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 10.0 110.347 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -28.55 57.52 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.344 -0.847 . . . . 10.0 110.743 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 23' ' ' LEU . 8.2 mp . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 10.0 110.37 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.534 HD13 HG21 ' A' ' 8' ' ' ILE . 2.8 mm? . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 121.076 0.465 . . . . 10.0 110.208 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -19.33 63.12 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.398 -0.814 . . . . 10.0 110.878 179.702 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.58 -33.7 9.81 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.353 -0.842 . . . . 10.0 110.461 -179.878 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.56 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 5.4 tp -65.77 -24.06 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.187 -0.946 . . . . 10.0 110.384 179.583 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -70.11 -39.67 75.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.985 -1.072 . . . . 10.0 109.364 179.065 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.33 -50.64 66.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.739 -0.601 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.56 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -57.98 -35.16 70.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.422 -0.799 . . . . 10.0 109.957 179.718 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.5 mm -69.27 -39.99 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.247 -0.908 . . . . 10.0 109.638 179.017 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.64 -32.25 70.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.53 -0.731 . . . . 10.0 109.898 179.28 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.34 -41.2 98.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.635 -0.665 . . . . 10.0 109.825 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.542 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 40.4 t -78.26 -31.12 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.419 -0.8 . . . . 10.0 109.642 179.319 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.68 -38.97 80.77 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.481 -0.762 . . . . 10.0 110.753 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -60.43 -38.91 85.6 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.384 -0.822 . . . . 10.0 110.463 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.53 -37.51 87.59 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.202 -0.936 . . . . 10.0 109.235 178.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.712 ' O ' HD12 ' A' ' 23' ' ' LEU . 27.2 t80 -68.36 -23.13 64.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.665 -0.647 . . . . 10.0 110.31 179.073 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -88.16 -24.96 23.19 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.033 -1.042 . . . . 10.0 110.125 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -60.51 -50.15 74.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.517 -0.74 . . . . 10.0 110.714 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.484 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 18.2 p-90 -68.92 -24.83 64.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.152 -0.967 . . . . 10.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -73.1 -38.35 66.39 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.167 -0.958 . . . . 10.0 109.708 178.845 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -68.96 -37.19 78.68 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.545 -0.722 . . . . 10.0 109.809 179.14 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.11 86.38 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 10.0 110.213 179.508 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -80.07 -39.57 29.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.429 -0.794 . . . . 10.0 110.126 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.609 -0.682 . . . . 10.0 110.057 179.648 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.64 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 121.137 0.494 . . . . 10.0 110.889 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -34.38 76.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.113 -0.992 . . . . 10.0 109.755 179.032 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.56 -20.2 61.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.732 . . . . 10.0 109.908 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.64 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -50.09 -35.86 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 10.0 110.475 179.651 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -77.87 -41.71 35.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.167 -0.958 . . . . 10.0 109.457 179.288 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.71 -47.51 75.14 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.688 -0.632 . . . . 10.0 110.127 179.652 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -54.24 -37.17 64.34 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.584 -0.697 . . . . 10.0 109.871 179.753 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.5 mm -75.56 -34.32 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.318 -0.864 . . . . 10.0 110.023 178.925 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -59.25 -44.58 92.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.573 -0.704 . . . . 10.0 110.639 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -46.34 90.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.4 -0.813 . . . . 10.0 109.666 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.54 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 84.6 t -68.88 -31.05 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.577 -0.702 . . . . 10.0 109.998 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -37.48 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -0.844 . . . . 10.0 110.112 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -42.43 98.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.459 -0.776 . . . . 10.0 109.826 179.321 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.1 -40.03 92.18 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.547 -0.721 . . . . 10.0 109.184 178.747 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -67.43 -34.73 77.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.622 -0.674 . . . . 10.0 109.958 179.015 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -63.99 -42.89 97.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.378 -0.826 . . . . 10.0 109.391 179.042 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 m -59.17 -42.4 90.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.482 -0.761 . . . . 10.0 109.344 178.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.583 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 32.4 t90 -65.84 -43.6 88.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.607 -0.683 . . . . 10.0 109.443 178.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.583 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.64 -32.62 74.29 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.601 -0.687 . . . . 10.0 110.381 179.553 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' HD12 ' A' ' 27' ' ' LEU . 16.5 tttm -67.49 -31.66 71.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.428 -0.795 . . . . 10.0 110.244 179.599 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.82 78.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.349 -0.844 . . . . 10.0 109.793 179.471 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.02 -23.93 30.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.593 -0.692 . . . . 10.0 109.973 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.361 0.6 . . . . 10.0 110.327 -179.548 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.543 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.503 2.208 0 N-CA-C 111.745 0.276 . . . . 10.0 111.745 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -43.11 81.01 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.238 -0.914 . . . . 10.0 110.61 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.82 -20.11 13.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.356 -0.84 . . . . 10.0 110.97 179.84 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -64.73 -32.73 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.072 -1.017 . . . . 10.0 110.128 179.912 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -75.04 -32.06 61.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.962 -1.086 . . . . 10.0 109.384 178.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.91 -47.18 66.45 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.559 -0.713 . . . . 10.0 109.657 179.053 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.49 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -58.06 -36.36 72.67 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.505 -0.747 . . . . 10.0 109.399 179.365 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.2 mm -68.45 -37.94 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.347 -0.846 . . . . 10.0 109.683 178.923 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.34 -33.17 75.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.484 -0.76 . . . . 10.0 110.345 179.541 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.57 -49.06 51.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.421 -0.799 . . . . 10.0 110.28 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 12' ' ' ILE . 7.4 p -68.87 -29.28 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.48 -0.762 . . . . 10.0 111.101 -179.851 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -78.22 -38.22 43.56 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.978 -1.076 . . . . 10.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -65.08 -44.33 89.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.252 -0.905 . . . . 10.0 110.252 179.787 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -36.83 80.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.399 -0.813 . . . . 10.0 109.39 179.007 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.06 -37.86 66.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.691 -0.631 . . . . 10.0 109.848 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -60.36 -45.94 91.72 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.595 -0.691 . . . . 10.0 110.024 179.52 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -62.39 -41.55 98.74 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 10.0 109.755 179.222 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.856 ' HE3' HD22 ' A' ' 23' ' ' LEU . 69.9 t90 -60.43 -41.43 93.97 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.579 -0.7 . . . . 10.0 109.877 179.295 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.856 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -61.96 -47.46 84.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.595 -0.691 . . . . 10.0 110.027 179.613 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -46.93 80.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.607 -0.683 . . . . 10.0 109.849 179.531 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.3 72.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.61 -0.681 . . . . 10.0 110.418 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -71.8 -34.93 69.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.397 -0.815 . . . . 10.0 110.329 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 O-C-N 121.551 -0.718 . . . . 10.0 110.155 179.886 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.613 ' HA ' HG22 ' A' ' 8' ' ' ILE . 28.1 mt . . . . . 0 N--CA 1.508 2.457 0 N-CA-C 111.509 0.188 . . . . 10.0 111.509 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -60.6 -22.59 63.91 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.064 -1.022 . . . . 10.0 110.605 179.775 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -107.2 -11.54 15.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.238 -0.914 . . . . 10.0 110.243 178.925 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.613 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -99.19 -25.0 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 10.0 110.261 179.63 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -75.37 -20.66 58.84 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.124 -0.985 . . . . 10.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 1.1 t70 -83.68 -43.71 15.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.347 -0.846 . . . . 10.0 109.155 179.261 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.51 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.56 -32.67 71.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.683 -0.636 . . . . 10.0 109.539 179.184 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.3 mm -75.8 -44.05 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.312 -0.868 . . . . 10.0 109.806 178.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.94 -38.06 84.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.588 -0.695 . . . . 10.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.33 -55.26 33.7 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.377 -0.827 . . . . 10.0 110.177 179.746 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.0 t -65.85 -32.83 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.484 -0.76 . . . . 10.0 110.029 179.54 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -64.61 -41.25 96.33 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.487 -0.758 . . . . 10.0 110.236 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 t -63.05 -42.34 99.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.306 -0.871 . . . . 10.0 109.551 179.362 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -41.93 88.11 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.705 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -70.81 -38.04 73.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.659 -0.651 . . . . 10.0 109.442 178.622 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.59 95.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.668 -0.645 . . . . 10.0 109.888 179.362 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -62.41 -45.51 92.79 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 10.0 109.506 179.146 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.534 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 20.3 t90 -64.42 -43.38 94.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.584 -0.697 . . . . 10.0 109.67 179.177 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.534 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.82 -39.31 80.83 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.522 -0.736 . . . . 10.0 110.351 179.805 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -42.29 91.3 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.104 179.663 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.04 82.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.511 -0.743 . . . . 10.0 110.315 179.526 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -74.43 -36.54 63.41 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.442 -0.786 . . . . 10.0 110.524 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.034 0 O-C-N 121.506 -0.747 . . . . 10.0 110.633 -179.931 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.532 ' O ' HG22 ' A' ' 8' ' ' ILE . 1.4 pp . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 120.752 0.311 . . . . 10.0 111.313 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -28.6 65.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.138 -0.976 . . . . 10.0 110.321 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -101.73 -19.85 15.2 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.488 -0.758 . . . . 10.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 5' ' ' LEU . 12.0 tt -62.07 -27.41 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.063 -1.023 . . . . 10.0 111.222 -179.587 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -34.09 64.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.268 -0.895 . . . . 10.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.32 -36.86 64.21 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.52 -0.737 . . . . 10.0 110.248 179.513 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -61.28 -47.75 84.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.575 -0.703 . . . . 10.0 109.769 179.324 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.43 -32.4 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.259 -0.901 . . . . 10.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 t -62.15 -39.96 94.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.34 -0.85 . . . . 10.0 110.285 179.913 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.24 -51.66 59.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.536 -0.727 . . . . 10.0 110.467 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.16 -28.26 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.296 -0.878 . . . . 10.0 110.443 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.35 -44.57 71.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.201 -0.937 . . . . 10.0 110.13 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 p -64.87 -35.8 82.31 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 10.0 109.51 179.287 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.01 -38.56 91.69 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.589 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -65.18 -35.17 80.24 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.73 -0.606 . . . . 10.0 109.635 178.87 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.2 -48.55 67.54 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.479 -0.763 . . . . 10.0 109.394 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -66.02 -40.01 90.7 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.543 -0.723 . . . . 10.0 109.767 179.099 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.543 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 26.1 t90 -59.38 -41.24 88.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.624 -0.673 . . . . 10.0 109.899 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.95 -45.2 82.67 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.533 -0.73 . . . . 10.0 110.345 179.782 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -70.29 -36.94 74.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.455 -0.778 . . . . 10.0 110.246 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.492 -0.755 . . . . 10.0 110.257 179.534 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -16.44 24.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.252 -0.905 . . . . 10.0 110.556 179.409 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.059 0 O-C-N 121.489 -0.757 . . . . 10.0 110.167 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 120.905 0.383 . . . . 10.0 110.418 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.88 143.39 25.37 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.726 -1.35 . . . . 10.0 109.726 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -105.5 -59.97 1.69 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.461 -1.023 . . . . 10.0 110.121 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 6' ' ' ARG . 27.0 p-90 -169.01 -158.54 0.21 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.474 -0.766 . . . . 10.0 110.177 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 1.1 mp -78.47 56.08 1.71 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.442 -0.786 . . . . 10.0 109.905 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 53.2 ttp180 -56.44 -49.47 74.49 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.237 -0.915 . . . . 10.0 110.259 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -27.52 68.55 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.415 -0.803 . . . . 10.0 110.719 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.716 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -56.37 -31.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.388 -0.82 . . . . 10.0 110.812 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.474 ' CD1' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -68.21 -12.49 61.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.229 -0.919 . . . . 10.0 111.162 -179.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.472 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 15.1 t70 -79.01 -34.96 43.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 10.0 108.804 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.549 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.96 -30.31 67.81 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.632 -0.668 . . . . 10.0 109.644 178.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.549 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.4 mm -97.44 -39.81 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.136 -0.978 . . . . 10.0 110.175 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.96 -39.79 72.35 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.323 -0.861 . . . . 10.0 111.2 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -39.21 84.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.271 -0.893 . . . . 10.0 110.744 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.1 t -77.4 -29.37 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.355 -0.841 . . . . 10.0 110.787 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 2.9 39.31 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.214 -0.929 . . . . 10.0 111.406 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -49.91 56.75 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.969 -1.082 . . . . 10.0 110.379 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.448 -0.783 . . . . 10.0 109.457 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -64.81 -34.15 77.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.616 -0.677 . . . . 10.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -70.81 -49.11 49.92 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.383 -0.823 . . . . 10.0 110.067 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -56.22 -42.09 76.69 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.526 -0.734 . . . . 10.0 110.055 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.555 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 67.1 t90 -62.6 -43.82 97.86 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.556 -0.715 . . . . 10.0 109.918 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -70.93 -38.98 72.91 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.443 -0.786 . . . . 10.0 110.459 179.699 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -60.39 -33.35 72.35 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.463 -0.773 . . . . 10.0 110.192 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.11 -39.09 50.78 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.486 -0.759 . . . . 10.0 110.094 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -71.65 -33.93 69.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.506 -0.746 . . . . 10.0 110.419 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -75.6 -25.54 57.07 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.43 -0.794 . . . . 10.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.7 ttt -65.88 120.95 73.23 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 121.258 -0.901 . . . . 10.0 110.447 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -75.56 -176.08 2.78 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.902 1.475 . . . . 10.0 110.41 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 131.57 47.9 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.278 -0.889 . . . . 10.0 110.185 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.867 -1.063 . . . . 10.0 110.406 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 120.808 0.337 . . . . 10.0 110.543 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.23 -37.4 3.69 Favored Glycine 0 N--CA 1.496 2.693 0 N-CA-C 109.899 -1.28 . . . . 10.0 109.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -75.55 -81.85 0.07 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.455 -1.026 . . . . 10.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.481 ' CD2' ' HB2' ' A' ' 7' ' ' ASP . 0.3 OUTLIER 56.61 23.56 7.86 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.568 -0.707 . . . . 10.0 111.363 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.5 pp -77.46 -18.85 56.78 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.925 -1.109 . . . . 10.0 110.805 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -82.11 -16.0 51.47 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 10.0 109.859 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.481 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . 26.6 m-20 -100.03 -30.27 12.07 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.556 -0.715 . . . . 10.0 110.212 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.669 ' O ' HD12 ' A' ' 12' ' ' ILE . 13.0 tt -61.55 -29.82 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.223 -0.923 . . . . 10.0 110.59 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -62.34 -41.28 98.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.123 -0.986 . . . . 10.0 109.804 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.59 -39.3 76.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.552 -0.718 . . . . 10.0 109.603 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 1.4 t90 -57.61 -54.31 48.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.717 -0.614 . . . . 10.0 109.544 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.7 mp -69.72 -35.21 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.181 -0.949 . . . . 10.0 110.141 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.44 -33.25 67.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.48 -0.763 . . . . 10.0 110.169 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.05 -45.88 17.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.72 . . . . 10.0 110.084 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.1 t -61.07 -34.54 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.614 -0.679 . . . . 10.0 110.806 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 -9.25 59.6 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.195 -0.941 . . . . 10.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.5 t -82.95 -60.22 2.23 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.101 -1.0 . . . . 10.0 110.29 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.97 -31.9 67.34 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.304 -0.873 . . . . 10.0 109.539 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -65.82 -39.57 91.0 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.595 -0.691 . . . . 10.0 109.531 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -62.58 -35.16 78.63 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.509 -0.744 . . . . 10.0 109.578 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 m -69.46 -39.89 77.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.593 -0.692 . . . . 10.0 109.648 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.592 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 52.4 t90 -59.81 -47.01 87.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.631 -0.668 . . . . 10.0 110.067 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -68.74 -43.63 75.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.493 -0.755 . . . . 10.0 110.318 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -63.43 -41.93 98.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.517 -0.739 . . . . 10.0 109.923 179.558 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.76 -33.93 75.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.436 -0.79 . . . . 10.0 109.843 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -75.83 -21.55 57.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.542 -0.724 . . . . 10.0 110.659 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.37 56.69 3.66 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.539 -0.726 . . . . 10.0 110.249 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.416 ' HB2' HD23 ' A' ' 23' ' ' LEU . 28.2 mtp -97.29 122.06 56.94 Favored Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.313 -0.867 . . . . 10.0 110.19 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -74.86 -171.81 1.07 Allowed 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 123.977 1.514 . . . . 10.0 110.648 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.39 113.36 8.34 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.341 -0.849 . . . . 10.0 110.004 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.33 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.127 0.489 . . . . 10.0 110.317 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.87 80.4 1.83 Allowed Glycine 0 N--CA 1.495 2.59 0 N-CA-C 109.537 -1.425 . . . . 10.0 109.537 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 m -103.49 -23.18 13.54 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.568 -0.96 . . . . 10.0 111.038 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -96.36 -0.45 49.39 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.222 -0.924 . . . . 10.0 111.5 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.441 ' HA ' HG22 ' A' ' 8' ' ' ILE . 2.3 mp -65.55 -27.48 68.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.21 -0.931 . . . . 10.0 110.559 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -25.45 65.48 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.224 -0.923 . . . . 10.0 110.703 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.57 -35.12 10.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.353 -0.842 . . . . 10.0 110.551 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.565 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 2.6 tp -63.77 -27.48 42.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.194 -0.941 . . . . 10.0 110.935 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.411 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 52.3 m0 -66.66 -41.49 88.12 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.077 -1.014 . . . . 10.0 109.822 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -63.78 -48.22 77.81 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.643 -0.661 . . . . 10.0 110.208 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.565 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.05 -37.99 81.46 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.539 -0.726 . . . . 10.0 109.814 179.632 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.4 mm -66.59 -37.76 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.3 -0.875 . . . . 10.0 109.817 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.62 -31.73 72.93 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.458 -0.776 . . . . 10.0 109.884 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -71.95 -46.91 55.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.463 -0.773 . . . . 10.0 110.309 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.1 p -73.71 -24.63 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.343 -0.848 . . . . 10.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 16' ' ' LEU . 3.5 tm? -83.02 -41.16 19.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.232 -0.917 . . . . 10.0 110.454 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.4 p -61.06 -48.93 79.46 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.326 -0.859 . . . . 10.0 110.649 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -37.84 72.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.506 -0.746 . . . . 10.0 109.646 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -70.32 -37.65 74.78 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.689 -0.632 . . . . 10.0 110.167 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.437 -0.789 . . . . 10.0 110.13 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -60.27 -42.64 95.82 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 10.0 109.685 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.581 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.6 t90 -68.97 -41.16 78.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.612 -0.68 . . . . 10.0 109.658 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -67.79 -41.04 83.82 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.458 -0.776 . . . . 10.0 110.701 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.82 -46.09 90.33 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.398 -0.814 . . . . 10.0 110.199 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.91 73.08 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.609 -0.682 . . . . 10.0 110.376 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -30.83 62.96 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.321 -0.862 . . . . 10.0 110.409 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -50.37 12.95 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.457 -0.777 . . . . 10.0 110.62 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.3 mtt -92.11 122.72 64.47 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.366 -0.834 . . . . 10.0 110.317 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.5 -18.79 25.61 Favored 'Trans proline' 0 C--N 1.315 -1.21 0 O-C-N 123.942 1.496 . . . . 10.0 111.184 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -118.69 21.65 12.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.418 -0.801 . . . . 10.0 110.631 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.875 -1.06 . . . . 10.0 109.933 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 121.095 0.474 . . . . 10.0 110.471 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.35 -147.72 8.73 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.697 -1.361 . . . . 10.0 109.697 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.25 -47.64 4.65 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.465 -1.021 . . . . 10.0 110.482 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.461 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 4.2 m95 60.86 -177.71 0.11 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.774 -0.579 . . . . 10.0 110.8 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.2 mt 64.09 -72.7 0.06 Allowed 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 4' ' ' TRP . 0.5 OUTLIER -60.18 -22.96 63.56 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.227 -0.921 . . . . 10.0 109.228 178.099 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -99.23 -17.07 18.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.759 -0.588 . . . . 10.0 110.382 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 5' ' ' LEU . 8.3 tt -89.27 -26.39 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.14 -0.975 . . . . 10.0 111.041 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -68.14 -41.46 81.61 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.269 -0.895 . . . . 10.0 109.893 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.01 -40.46 70.16 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.574 -0.704 . . . . 10.0 109.945 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.598 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.68 -52.04 67.05 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 109.163 -0.68 . . . . 10.0 109.163 178.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 12' ' ' ILE . 30.5 mm -69.16 -27.74 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.582 -0.699 . . . . 10.0 110.568 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.09 -38.49 91.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.275 -0.891 . . . . 10.0 110.172 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -44.38 62.01 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.374 -0.829 . . . . 10.0 109.697 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.96 -33.66 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.563 -0.711 . . . . 10.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.92 -27.61 62.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.291 -0.88 . . . . 10.0 110.529 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.21 -53.69 52.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.296 -0.877 . . . . 10.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -40.81 78.29 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.262 -0.899 . . . . 10.0 109.622 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.471 ' O ' HD12 ' A' ' 23' ' ' LEU . 29.7 t80 -68.5 -19.75 64.54 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.566 -0.709 . . . . 10.0 110.517 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.61 7.79 37.55 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.204 -0.935 . . . . 10.0 110.227 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -101.9 -41.65 6.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.246 -0.908 . . . . 10.0 110.097 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.48 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.1 p-90 -64.76 -26.66 68.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.334 -0.854 . . . . 10.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -65.93 -38.41 88.6 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.244 -0.91 . . . . 10.0 109.783 178.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -65.16 -32.65 74.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.611 -0.68 . . . . 10.0 109.919 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.01 -33.25 72.97 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.37 -0.831 . . . . 10.0 109.764 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -29.89 19.75 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.485 -0.759 . . . . 10.0 109.844 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -82.74 -61.15 1.95 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.299 -0.876 . . . . 10.0 110.854 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 tpt -95.91 118.75 65.65 Favored Pre-proline 0 N--CA 1.497 1.879 0 O-C-N 121.385 -0.822 . . . . 10.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -74.95 -176.11 2.7 Favored 'Trans proline' 0 C--N 1.314 -1.237 0 O-C-N 123.879 1.463 . . . . 10.0 110.578 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.47 129.98 44.31 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.432 -0.793 . . . . 10.0 110.069 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 118.454 -0.784 . . . . 10.0 110.913 -179.688 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 120.956 0.408 . . . . 10.0 110.33 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.64 -176.65 26.43 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.93 -1.268 . . . . 10.0 109.93 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -111.19 36.38 3.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.47 -1.017 . . . . 10.0 110.546 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.629 ' C ' ' HG ' ' A' ' 5' ' ' LEU . 5.5 m95 -151.44 -170.13 3.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.504 -0.748 . . . . 10.0 110.095 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.629 ' HG ' ' C ' ' A' ' 4' ' ' TRP . 3.6 pp 33.95 38.52 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.538 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -103.25 -50.4 3.48 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.192 -0.943 . . . . 10.0 109.45 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -101.38 -13.22 18.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 10.0 110.633 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.515 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 16.3 tt -59.7 -31.48 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.212 -0.93 . . . . 10.0 110.189 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.93 -38.5 37.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.503 -0.748 . . . . 10.0 109.513 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.52 -37.64 88.09 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.657 -0.652 . . . . 10.0 110.007 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -60.66 -39.92 90.14 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.491 -0.755 . . . . 10.0 109.436 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.8 mm -83.95 -28.74 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.236 -0.915 . . . . 10.0 110.29 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.95 -40.87 62.75 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.21 -0.931 . . . . 10.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.42 -51.13 60.21 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.301 -0.874 . . . . 10.0 110.621 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 p -58.65 -32.77 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.419 -0.801 . . . . 10.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.87 -46.53 12.91 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.169 -0.957 . . . . 10.0 109.389 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -59.66 -39.67 85.17 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.61 -0.682 . . . . 10.0 109.823 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.92 -41.66 96.59 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.037 -0.727 . . . . 10.0 109.037 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -72.51 -35.92 68.24 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.815 -0.553 . . . . 10.0 109.612 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.66 -44.48 77.76 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.708 . . . . 10.0 110.344 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.0 m -62.5 -42.34 99.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.374 -0.829 . . . . 10.0 109.902 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -70.07 -41.46 74.09 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.43 -0.794 . . . . 10.0 110.13 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.1 tp -71.87 -41.79 67.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.451 -0.78 . . . . 10.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -28.74 70.08 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.303 -0.873 . . . . 10.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -45.76 91.97 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.29 -0.881 . . . . 10.0 110.344 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -94.88 -39.29 10.31 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 10.0 110.249 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 27' ' ' LEU . 1.5 tm? -120.74 98.38 5.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.415 -0.803 . . . . 10.0 110.131 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.637 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 6.0 tpt -85.15 -55.8 0.41 Allowed Pre-proline 0 N--CA 1.498 1.964 0 O-C-N 121.408 -0.807 . . . . 10.0 110.959 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 47.9 Cg_endo -73.47 169.99 20.99 Favored 'Trans proline' 0 N--CA 1.489 1.208 0 O-C-N 123.141 1.074 . . . . 10.0 110.576 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 35.14 57.43 0.79 Allowed 'General case' 0 N--CA 1.507 2.423 0 CA-C-O 121.417 0.627 . . . . 10.0 111.603 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 117.825 -1.084 . . . . 10.0 110.979 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 121.21 0.529 . . . . 10.0 110.425 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.81 -147.45 26.47 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.636 -1.385 . . . . 10.0 109.636 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 p -125.3 -71.79 0.69 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.408 -1.054 . . . . 10.0 110.304 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.615 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -158.96 -158.77 0.72 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.334 -0.854 . . . . 10.0 110.364 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.642 HD23 ' CZ2' ' A' ' 9' ' ' TRP . 5.1 mp -53.98 -31.5 51.0 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.535 -0.728 . . . . 10.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -55.58 -35.37 65.71 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.54 -0.725 . . . . 10.0 109.948 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -102.79 -34.96 8.81 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.782 -0.574 . . . . 10.0 109.916 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.39 79.37 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.492 -0.755 . . . . 10.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.642 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 28.4 m0 -67.92 -40.42 83.38 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.265 -0.897 . . . . 10.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -37.01 84.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.697 -0.627 . . . . 10.0 110.137 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -41.91 89.55 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.348 -0.845 . . . . 10.0 109.466 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.1 mm -74.33 -36.41 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.3 -0.875 . . . . 10.0 109.968 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.42 -39.46 71.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.338 -0.851 . . . . 10.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -71.27 -48.97 47.73 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.321 -0.862 . . . . 10.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.95 -32.73 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.195 -0.941 . . . . 10.0 110.726 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.58 -42.31 18.45 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.123 -0.986 . . . . 10.0 109.653 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 t -62.0 -43.71 98.26 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.535 -0.728 . . . . 10.0 110.001 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.61 -40.12 90.68 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.271 -0.893 . . . . 10.0 109.602 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -67.87 -37.3 81.64 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.519 -0.738 . . . . 10.0 110.224 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -78.24 -37.57 44.91 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.48 -0.763 . . . . 10.0 110.217 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.9 m -60.76 -43.42 98.03 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.747 . . . . 10.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.846 ' HE3' HD22 ' A' ' 23' ' ' LEU . 66.7 t90 -65.1 -49.83 68.46 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.404 -0.81 . . . . 10.0 110.01 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.846 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -61.07 -40.78 94.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.366 -0.834 . . . . 10.0 110.351 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -72.0 -36.23 69.68 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 10.0 110.02 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.69 76.34 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.421 -0.799 . . . . 10.0 109.947 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.0 -7.76 51.05 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.414 -0.804 . . . . 10.0 110.796 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER 56.51 43.06 26.46 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.4 -0.812 . . . . 10.0 110.546 -179.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 58.04 87.98 0.13 Allowed Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.639 -0.663 . . . . 10.0 110.684 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.09 -176.97 2.66 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 O-C-N 123.793 1.417 . . . . 10.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -57.49 137.37 56.32 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.515 -0.74 . . . . 10.0 110.847 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 117.921 -1.037 . . . . 10.0 110.436 -179.848 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 120.89 0.376 . . . . 10.0 110.312 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.79 -119.28 2.41 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.299 -1.52 . . . . 10.0 109.299 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -168.18 -50.45 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.502 -0.999 . . . . 10.0 110.515 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.491 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -77.67 -134.31 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.496 -0.753 . . . . 10.0 109.712 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.598 ' HA ' HG22 ' A' ' 8' ' ' ILE . 5.3 mp -52.5 -28.76 21.8 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.078 -1.014 . . . . 10.0 110.535 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -60.18 -25.55 65.65 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.338 -0.851 . . . . 10.0 110.841 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.97 -29.31 9.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.324 -0.86 . . . . 10.0 110.678 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.598 HG22 ' HA ' ' A' ' 5' ' ' LEU . 9.8 tt -61.45 -36.41 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.161 -0.962 . . . . 10.0 110.442 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.427 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 23.5 m0 -66.18 -37.16 84.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.312 -0.868 . . . . 10.0 109.233 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.13 -35.57 73.71 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.632 . . . . 10.0 109.539 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.03 -49.25 75.36 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.608 -0.682 . . . . 10.0 109.298 179.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 8' ' ' ILE . 4.0 mt -72.29 -36.79 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.368 -0.832 . . . . 10.0 109.786 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 t -57.54 -42.87 83.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.642 -0.661 . . . . 10.0 110.511 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -58.16 -40.64 81.92 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.509 -0.744 . . . . 10.0 110.105 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.7 t -83.52 -23.51 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 10.0 110.3 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD13 HG22 ' A' ' 12' ' ' ILE . 1.3 tp -70.64 -22.13 62.55 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.268 -0.895 . . . . 10.0 111.152 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -58.26 8.93 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.126 -0.984 . . . . 10.0 110.622 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.524 ' O ' HG22 ' A' ' 21' ' ' THR . 1.1 m-20 -62.29 -31.43 72.03 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.232 -0.918 . . . . 10.0 109.774 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -70.86 -36.28 72.77 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.369 -0.832 . . . . 10.0 109.482 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -33.85 27.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.492 -0.755 . . . . 10.0 110.327 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -61.4 -34.75 75.87 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.314 -0.866 . . . . 10.0 110.165 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.588 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 47.0 t90 -74.14 -43.68 56.53 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.445 -0.784 . . . . 10.0 109.218 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.588 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -68.55 -36.2 78.46 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.511 -0.743 . . . . 10.0 110.227 179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -41.91 98.94 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.462 -0.774 . . . . 10.0 109.892 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.9 -28.21 67.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.567 -0.708 . . . . 10.0 110.306 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -32.85 21.98 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.359 -0.838 . . . . 10.0 110.258 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -73.78 -19.92 60.63 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.526 -0.734 . . . . 10.0 110.754 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.486 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 5.9 mtp -63.14 -59.68 11.64 Favored Pre-proline 0 N--CA 1.499 1.993 0 O-C-N 121.127 -0.983 . . . . 10.0 110.767 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' HD3' ' HB2' ' A' ' 28' ' ' MET . 48.1 Cg_endo -74.28 147.82 37.9 Favored 'Trans proline' 0 N--CA 1.487 1.125 0 O-C-N 123.36 1.189 . . . . 10.0 110.467 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 51.8 76.04 0.19 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.399 0.619 . . . . 10.0 110.635 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 O-C-N 121.353 -0.842 . . . . 10.0 110.758 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.8 m . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 120.847 0.356 . . . . 10.0 110.533 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.77 -155.81 10.43 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.848 -1.301 . . . . 10.0 109.848 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -84.37 -37.96 20.9 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.558 -0.966 . . . . 10.0 110.464 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.407 ' CZ3' ' HB ' ' A' ' 8' ' ' ILE . 43.0 p-90 -142.35 135.43 28.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.266 -0.896 . . . . 10.0 110.032 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.646 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -131.5 13.7 4.99 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.277 -0.889 . . . . 10.0 111.444 -179.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -80.05 -44.11 20.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.004 -1.06 . . . . 10.0 109.687 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -85.5 -34.13 21.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.57 -0.706 . . . . 10.0 110.707 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 5' ' ' LEU . 8.1 tt -64.55 -28.56 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.251 -0.906 . . . . 10.0 110.841 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -68.53 -45.42 72.28 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.183 -0.948 . . . . 10.0 109.901 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.64 -39.97 92.01 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.423 -0.798 . . . . 10.0 109.919 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -55.56 -35.94 66.28 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.73 179.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.508 HG12 ' CD1' ' A' ' 11' ' ' TRP . 5.6 mm -89.56 -38.88 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.244 -0.91 . . . . 10.0 110.231 179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 t -65.75 -42.97 90.28 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.407 -0.808 . . . . 10.0 110.723 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.54 -52.97 62.93 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.447 -0.783 . . . . 10.0 110.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.22 -35.02 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.526 -0.734 . . . . 10.0 110.177 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tp -77.1 -22.94 51.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.226 -0.921 . . . . 10.0 110.148 179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.24 -50.61 59.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.364 -0.835 . . . . 10.0 109.835 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -58.94 -41.02 86.37 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.395 -0.816 . . . . 10.0 108.953 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.01 -38.08 81.63 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.661 -0.649 . . . . 10.0 109.475 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -64.67 -39.42 93.65 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.524 -0.735 . . . . 10.0 109.595 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -58.93 -44.06 91.26 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.507 -0.746 . . . . 10.0 109.512 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.827 ' HE3' HD22 ' A' ' 23' ' ' LEU . 71.4 t90 -70.71 -42.65 70.33 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.653 -0.654 . . . . 10.0 109.675 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.827 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -62.48 -40.92 98.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.584 -0.698 . . . . 10.0 110.451 179.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 tptm -62.64 -43.15 99.54 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.417 -0.802 . . . . 10.0 110.342 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.35 -37.51 71.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.461 -0.775 . . . . 10.0 110.438 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.25 -34.92 66.11 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.366 -0.834 . . . . 10.0 110.592 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -21.55 55.38 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.344 -0.847 . . . . 10.0 110.774 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.49 123.25 72.95 Favored Pre-proline 0 N--CA 1.5 2.045 0 O-C-N 121.344 -0.847 . . . . 10.0 110.595 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -75.18 98.69 1.19 Allowed 'Trans proline' 0 C--N 1.315 -1.188 0 O-C-N 123.807 1.425 . . . . 10.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 51.78 74.35 0.26 Allowed 'General case' 0 N--CA 1.499 2.021 0 CA-C-O 121.432 0.634 . . . . 10.0 110.74 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.278 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 120.767 0.318 . . . . 10.0 110.299 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.33 95.23 2.36 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.569 -1.412 . . . . 10.0 109.569 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -99.78 30.11 3.82 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.592 -0.946 . . . . 10.0 110.794 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -99.71 -24.27 14.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.278 -0.889 . . . . 10.0 110.621 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -86.82 -25.42 24.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.491 -0.756 . . . . 10.0 110.536 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -59.15 -49.72 76.77 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.942 . . . . 10.0 110.036 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -33.56 74.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.776 . . . . 10.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.543 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 1.4 tt -79.52 -8.82 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.119 -0.988 . . . . 10.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -43.98 8.69 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.984 -1.072 . . . . 10.0 109.78 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.3 -40.34 95.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.415 -0.803 . . . . 10.0 109.82 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.543 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.44 -33.4 72.48 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.546 -0.721 . . . . 10.0 109.683 179.432 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.457 HG12 ' NE1' ' A' ' 11' ' ' TRP . 4.6 mm -78.37 -30.79 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.34 -0.85 . . . . 10.0 110.263 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.71 -43.64 65.58 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.294 -0.879 . . . . 10.0 110.669 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.77 -41.87 92.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 10.0 110.153 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -78.5 -24.98 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.861 . . . . 10.0 110.168 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -43.9 97.96 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.235 -0.915 . . . . 10.0 110.289 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.6 p -63.93 -40.53 96.66 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.291 -0.881 . . . . 10.0 109.383 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.15 -39.28 89.5 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -69.11 -37.73 78.52 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.75 -0.594 . . . . 10.0 109.988 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -61.21 -44.34 97.44 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.364 -0.835 . . . . 10.0 109.884 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.1 m -61.65 -36.94 82.25 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.532 -0.73 . . . . 10.0 109.686 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.544 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 23.9 t90 -68.78 -39.45 80.19 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.625 -0.672 . . . . 10.0 109.733 179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.2 -28.7 69.92 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.58 -0.7 . . . . 10.0 110.237 179.379 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -84.02 -41.36 17.32 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.447 -0.783 . . . . 10.0 109.72 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.64 82.38 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.582 -0.699 . . . . 10.0 109.849 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -17.93 34.27 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.47 -0.769 . . . . 10.0 110.285 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.1 96.65 0.06 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.735 -0.603 . . . . 10.0 110.308 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.26 147.56 0.12 Allowed Pre-proline 0 N--CA 1.502 2.164 0 O-C-N 121.973 -0.454 . . . . 10.0 110.808 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.8 ' HG2' HD13 ' A' ' 31' ' ' LEU . 49.1 Cg_endo -77.94 177.61 8.59 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.769 1.405 . . . . 10.0 110.596 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.63 80.63 1.1 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.471 -0.768 . . . . 10.0 110.243 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.8 HD13 ' HG2' ' A' ' 29' ' ' PRO . 2.7 mp . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.937 -1.03 . . . . 10.0 110.363 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.077 0.465 . . . . 10.0 110.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.02 -171.81 12.98 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.635 -1.386 . . . . 10.0 109.635 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -115.43 53.07 0.85 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.47 -1.017 . . . . 10.0 110.259 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -141.56 -176.39 4.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.442 -0.786 . . . . 10.0 110.331 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mp 66.29 -62.26 0.27 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 122.05 -0.406 . . . . 10.0 111.186 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -38.48 64.79 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.091 -1.006 . . . . 10.0 110.221 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.6 -19.2 58.1 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.486 -0.759 . . . . 10.0 110.626 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt -93.84 -28.45 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.242 -0.911 . . . . 10.0 109.652 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -64.43 -46.75 81.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.557 -0.715 . . . . 10.0 110.486 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -62.32 -39.14 92.07 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.33 -0.856 . . . . 10.0 110.413 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.39 -29.69 66.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.474 -0.766 . . . . 10.0 110.199 179.579 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.1 mm -99.06 -34.39 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.135 -0.978 . . . . 10.0 110.55 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 t -77.6 -40.38 42.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.324 -0.86 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.74 -35.0 79.49 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.18 -0.95 . . . . 10.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -80.26 -28.72 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.316 -0.865 . . . . 10.0 110.357 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.47 -32.16 24.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.275 -0.891 . . . . 10.0 111.043 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -56.83 -47.2 80.87 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.223 -0.923 . . . . 10.0 110.478 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.4 -36.31 79.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.292 -0.88 . . . . 10.0 109.136 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -20.22 63.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.723 -0.611 . . . . 10.0 110.496 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -8.54 49.92 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.226 -0.921 . . . . 10.0 110.268 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 m -80.24 -50.57 10.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.353 -0.842 . . . . 10.0 110.024 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 26.4 p-90 -68.4 -25.04 64.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.317 -0.864 . . . . 10.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -76.09 -38.98 56.34 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.264 -0.898 . . . . 10.0 109.884 179.097 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -65.45 -41.51 93.34 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.515 -0.741 . . . . 10.0 109.761 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.26 90.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.652 -0.655 . . . . 10.0 110.298 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -70.65 -30.59 67.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.775 . . . . 10.0 110.447 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.73 -59.09 3.01 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.418 -0.801 . . . . 10.0 110.14 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ttm 53.56 84.62 0.21 Allowed Pre-proline 0 N--CA 1.502 2.172 0 O-C-N 121.891 -0.506 . . . . 10.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 45.3 Cg_endo -72.51 95.4 0.79 Allowed 'Trans proline' 0 C--N 1.313 -1.326 0 O-C-N 123.704 1.371 . . . . 10.0 110.238 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 29' ' ' PRO . 1.5 pt20 33.14 57.6 0.47 Allowed 'General case' 0 N--CA 1.508 2.463 0 CA-C-O 121.41 0.624 . . . . 10.0 111.737 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.497 1.909 0 CA-C-O 117.866 -1.064 . . . . 10.0 110.655 179.883 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.078 0.466 . . . . 10.0 110.41 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.38 -89.49 0.07 OUTLIER Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.888 -1.285 . . . . 10.0 109.888 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -131.4 -56.66 1.02 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.569 -0.959 . . . . 10.0 110.791 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.46 -142.62 0.06 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.296 -0.878 . . . . 10.0 110.51 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.8 tp -63.68 -14.76 55.06 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.063 -1.023 . . . . 10.0 111.601 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -43.45 96.57 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.054 -1.029 . . . . 10.0 110.54 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.11 -3.31 29.46 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.25 -0.906 . . . . 10.0 111.297 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.52 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 9.4 tt -71.6 -20.42 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 120.969 -1.082 . . . . 10.0 110.689 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -33.59 75.93 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.265 -0.897 . . . . 10.0 109.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.45 -37.68 62.85 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.623 -0.673 . . . . 10.0 110.065 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.19 -45.51 87.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.637 -0.665 . . . . 10.0 109.248 178.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.16 -26.26 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.402 -0.811 . . . . 10.0 109.987 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.2 t -56.75 -43.99 81.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.415 -0.803 . . . . 10.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.81 -39.44 80.07 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.642 -0.661 . . . . 10.0 109.988 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.65 -30.06 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.414 -0.804 . . . . 10.0 110.053 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -43.12 51.82 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.418 -0.801 . . . . 10.0 110.867 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 p -58.26 -44.02 88.17 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.351 -0.843 . . . . 10.0 110.406 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.1 -31.97 73.24 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.391 -0.818 . . . . 10.0 109.594 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -83.12 -7.41 59.64 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.633 -0.667 . . . . 10.0 110.851 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -113.77 11.48 18.06 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.029 -1.044 . . . . 10.0 111.311 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -116.26 -55.66 2.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.092 -1.005 . . . . 10.0 109.211 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.549 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 56.1 t90 -73.42 -39.13 65.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.586 -0.696 . . . . 10.0 109.615 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.549 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -74.46 -37.5 63.21 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.587 -0.695 . . . . 10.0 110.693 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 27' ' ' LEU . 16.8 tptt -66.41 -38.1 86.7 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.391 -0.818 . . . . 10.0 110.564 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.26 92.96 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.821 . . . . 10.0 110.399 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -91.38 -14.53 30.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 10.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER 59.13 67.68 0.89 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.444 -0.785 . . . . 10.0 109.916 -179.377 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 70.8 mtp 55.64 74.41 0.72 Allowed Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.673 -0.642 . . . . 10.0 110.741 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -74.71 70.71 4.99 Favored 'Trans proline' 0 N--CA 1.488 1.176 0 O-C-N 123.87 1.458 . . . . 10.0 110.649 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.36 158.33 0.1 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.402 0.62 . . . . 10.0 110.627 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.83 0 O-C-N 121.216 -0.928 . . . . 10.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.5 p . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.039 0.447 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.17 76.38 1.32 Allowed Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.427 -1.469 . . . . 10.0 109.427 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 4' ' ' TRP . 0.2 OUTLIER -132.9 -55.89 0.93 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.539 -0.977 . . . . 10.0 110.423 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' SER . 1.9 p-90 30.56 63.37 0.18 Allowed 'General case' 0 N--CA 1.51 2.573 0 CA-C-O 121.646 0.736 . . . . 10.0 111.554 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.638 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 pp -63.17 -24.58 67.95 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.583 -0.698 . . . . 10.0 111.279 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -64.57 -23.59 67.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.146 -0.971 . . . . 10.0 110.796 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -107.19 -32.81 7.65 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.288 -0.882 . . . . 10.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.638 HG22 ' HA ' ' A' ' 5' ' ' LEU . 12.1 tt -60.5 -34.27 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.123 -0.985 . . . . 10.0 110.279 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -69.77 -38.5 76.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.196 -0.94 . . . . 10.0 109.25 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -62.86 -39.97 96.04 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.681 -0.637 . . . . 10.0 110.025 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -40.92 96.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.418 -0.802 . . . . 10.0 109.798 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.9 mm -67.85 -27.83 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.272 -0.892 . . . . 10.0 110.237 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.39 -37.16 52.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.207 -0.933 . . . . 10.0 109.824 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -64.81 -50.46 66.61 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.572 -0.705 . . . . 10.0 110.117 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.94 -30.62 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.543 -0.723 . . . . 10.0 110.405 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tp -69.64 -43.74 72.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.243 -0.911 . . . . 10.0 110.002 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 t -64.63 -37.47 87.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.482 -0.761 . . . . 10.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -40.55 94.23 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -66.02 -38.31 88.12 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.691 -0.63 . . . . 10.0 110.082 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -74.28 -41.62 60.91 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.416 -0.802 . . . . 10.0 110.06 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -65.69 -39.52 91.35 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.527 -0.733 . . . . 10.0 109.833 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.739 ' HE3' HD22 ' A' ' 23' ' ' LEU . 60.4 t90 -63.41 -45.03 92.88 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.422 -0.799 . . . . 10.0 109.991 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -63.35 -40.73 98.1 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.461 -0.774 . . . . 10.0 110.247 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -73.72 -31.27 63.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.348 -0.845 . . . . 10.0 110.152 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.04 65.55 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.521 -0.737 . . . . 10.0 109.558 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 -25.18 35.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.606 -0.684 . . . . 10.0 109.793 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.0 99.93 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.451 0.644 . . . . 10.0 111.052 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 tpt -119.2 75.49 15.55 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.36 -0.837 . . . . 10.0 110.105 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.06 169.65 21.94 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.731 1.385 . . . . 10.0 110.569 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.66 128.64 38.07 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.463 -0.773 . . . . 10.0 110.373 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 118.272 -0.871 . . . . 10.0 110.5 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.041 0.448 . . . . 10.0 110.343 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.76 142.43 24.55 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.475 -1.45 . . . . 10.0 109.475 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.79 25.65 11.51 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.494 -1.004 . . . . 10.0 110.75 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 -159.19 131.1 6.44 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.154 -0.966 . . . . 10.0 110.421 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.65 14.26 5.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.394 -0.816 . . . . 10.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.48 -44.37 7.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.143 -0.973 . . . . 10.0 109.31 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -72.19 -26.93 62.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 10.0 110.356 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.1 tt -62.03 -33.7 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.269 -0.894 . . . . 10.0 109.818 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.7 m0 -67.63 -38.52 84.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.275 -0.891 . . . . 10.0 108.984 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.23 -43.21 99.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.81 -0.556 . . . . 10.0 110.136 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.577 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -62.0 -37.33 84.43 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.441 -0.787 . . . . 10.0 109.79 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.1 mm -76.66 -40.59 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.291 -0.881 . . . . 10.0 109.841 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.63 -38.9 89.37 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.582 -0.699 . . . . 10.0 110.5 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -51.82 65.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.101 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.577 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 75.8 t -62.44 -34.44 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.414 -0.804 . . . . 10.0 109.867 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -43.85 95.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.436 -0.79 . . . . 10.0 109.443 179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 t -62.31 -41.48 98.56 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.433 -0.792 . . . . 10.0 109.052 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.13 -23.58 66.64 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.547 -0.721 . . . . 10.0 110.276 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -97.03 -18.98 19.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.465 -0.772 . . . . 10.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -108.65 7.77 26.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.026 -1.046 . . . . 10.0 111.063 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -102.73 -38.51 7.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 10.0 110.269 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.458 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 41.0 p-90 -65.23 -26.08 67.96 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.258 -0.901 . . . . 10.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HG ' ' CH2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -70.44 -51.32 30.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.102 -0.999 . . . . 10.0 109.952 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -56.81 -24.61 52.1 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.458 -0.776 . . . . 10.0 110.903 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.17 -36.16 12.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.206 -0.934 . . . . 10.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -98.08 20.32 12.54 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.268 -0.895 . . . . 10.0 111.272 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.42 -61.97 1.36 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.143 -0.973 . . . . 10.0 110.045 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 38.8 tpp -162.46 64.61 1.61 Allowed Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.414 -0.804 . . . . 10.0 110.537 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.15 177.5 7.12 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 123.684 1.36 . . . . 10.0 110.342 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -89.56 87.72 7.15 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.289 -0.882 . . . . 10.0 109.799 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 118.225 -0.893 . . . . 10.0 110.451 -179.61 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 121.053 0.454 . . . . 10.0 110.452 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.61 120.21 0.93 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.637 -1.385 . . . . 10.0 109.637 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 5' ' ' LEU . 4.1 p -115.97 -81.78 0.61 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.484 -1.01 . . . . 10.0 110.184 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.429 ' O ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER 64.37 -68.59 0.1 Allowed 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.839 -0.538 . . . . 10.0 111.334 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 3' ' ' SER . 4.6 mt -50.3 -36.73 33.05 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.633 -0.667 . . . . 10.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.447 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 3.8 mpt_? -57.61 -39.59 77.21 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.359 -0.838 . . . . 10.0 109.864 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.92 -22.43 62.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.663 -0.648 . . . . 10.0 110.572 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 4' ' ' TRP . 3.6 mt -86.11 -30.68 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.256 -0.903 . . . . 10.0 109.608 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.447 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 53.6 m0 -60.68 -39.03 86.91 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.354 -0.841 . . . . 10.0 110.334 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.21 -47.86 72.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.496 -0.752 . . . . 10.0 110.24 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.605 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -55.51 -34.84 64.99 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.508 -0.745 . . . . 10.0 109.981 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.0 mm -73.31 -40.49 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.339 -0.851 . . . . 10.0 109.962 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -65.58 -37.37 86.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.473 -0.767 . . . . 10.0 110.35 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -60.79 -50.93 71.48 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.508 -0.745 . . . . 10.0 109.812 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.605 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 55.5 t -65.38 -31.92 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.508 -0.745 . . . . 10.0 109.464 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -41.64 83.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.494 -0.754 . . . . 10.0 109.35 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 m -63.86 -41.13 97.86 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.575 -0.703 . . . . 10.0 109.415 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -60.28 -40.52 90.7 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.63 -38.09 89.82 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.698 -0.626 . . . . 10.0 109.895 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -62.19 -42.0 98.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.32 -0.863 . . . . 10.0 109.815 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.1 m -67.14 -36.53 82.06 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.522 -0.736 . . . . 10.0 109.82 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.508 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 5.9 t90 -67.2 -37.15 83.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.467 -0.771 . . . . 10.0 109.645 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.508 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -57.24 -33.34 67.47 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.597 -0.69 . . . . 10.0 110.179 179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -85.94 -31.84 21.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.35 -0.844 . . . . 10.0 109.641 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.97 65.66 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 10.0 109.356 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -28.19 35.21 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.674 -0.641 . . . . 10.0 109.526 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 68.14 109.01 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.53 0.681 . . . . 10.0 111.011 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.609 ' SD ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -110.69 95.61 24.27 Favored Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 121.409 -0.807 . . . . 10.0 110.079 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -77.06 54.34 4.57 Favored 'Trans proline' 0 N--CA 1.489 1.239 0 O-C-N 123.877 1.462 . . . . 10.0 111.011 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.16 36.92 0.29 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.192 -0.943 . . . . 10.0 110.147 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD12 ' SD ' ' A' ' 28' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 117.9 -1.048 . . . . 10.0 110.376 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 121.06 0.457 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.13 133.75 31.24 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.386 -1.485 . . . . 10.0 109.386 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.31 35.28 22.46 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.781 -0.835 . . . . 10.0 110.717 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -128.29 -166.35 1.61 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.195 -0.94 . . . . 10.0 110.368 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.845 HD13 ' HB ' ' A' ' 8' ' ' ILE . 1.6 mm? 57.84 31.0 19.91 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.788 -0.57 . . . . 10.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -81.0 -55.76 4.56 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.179 -0.951 . . . . 10.0 109.611 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -103.02 18.06 22.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.451 -0.781 . . . . 10.0 110.004 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.845 ' HB ' HD13 ' A' ' 5' ' ' LEU . 2.4 mt -107.26 -38.22 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.274 -0.892 . . . . 10.0 109.81 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.536 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -58.95 -41.4 87.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.487 -0.758 . . . . 10.0 110.199 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -47.61 77.59 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.561 -0.712 . . . . 10.0 110.311 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.588 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -61.8 -33.74 74.67 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.561 -0.712 . . . . 10.0 109.722 179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.3 mm -79.88 -34.64 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.286 -0.884 . . . . 10.0 109.77 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.3 t -59.59 -45.46 91.81 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.563 -0.711 . . . . 10.0 110.535 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.83 -48.01 80.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 10.0 109.809 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.588 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 70.2 t -62.75 -36.95 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.609 -0.682 . . . . 10.0 109.818 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -37.34 86.93 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.561 -0.712 . . . . 10.0 109.976 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -43.62 97.92 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.519 -0.738 . . . . 10.0 109.518 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -61.45 -39.6 91.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.627 -0.671 . . . . 10.0 109.245 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -64.79 -33.89 77.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.67 -0.644 . . . . 10.0 110.134 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -66.25 -46.81 75.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.36 -0.837 . . . . 10.0 109.64 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.8 m -63.47 -40.58 97.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.561 -0.712 . . . . 10.0 109.79 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.552 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 24.5 t90 -62.76 -43.36 99.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.664 -0.648 . . . . 10.0 109.925 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.552 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -60.52 -40.99 93.43 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.52 -0.738 . . . . 10.0 110.226 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -40.32 96.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 10.0 109.905 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.61 83.44 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.646 -0.659 . . . . 10.0 110.174 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -60.61 -34.44 74.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.553 -0.717 . . . . 10.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tt -81.87 -46.2 14.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.629 -0.67 . . . . 10.0 110.175 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -147.13 98.51 4.03 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 121.502 -0.749 . . . . 10.0 110.286 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -74.82 -173.08 1.41 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 123.829 1.436 . . . . 10.0 110.729 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -61.46 128.46 36.44 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.326 -0.859 . . . . 10.0 110.279 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.21 -0.9 . . . . 10.0 110.471 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 121.151 0.501 . . . . 10.0 110.377 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.24 78.47 1.41 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.492 -1.443 . . . . 10.0 109.492 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 p -121.7 -70.87 0.76 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.502 -0.999 . . . . 10.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.506 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -156.59 -143.1 0.11 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.373 -0.829 . . . . 10.0 109.781 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 3.0 mp -56.18 -28.56 58.61 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.23 -0.919 . . . . 10.0 110.392 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -34.84 72.62 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.459 -0.776 . . . . 10.0 110.279 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.97 -30.01 11.46 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.563 -0.711 . . . . 10.0 110.425 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.509 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.98 -30.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.375 -0.828 . . . . 10.0 110.309 179.758 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -65.78 -37.85 87.43 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.202 -0.936 . . . . 10.0 109.404 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.65 -44.52 96.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.48 -0.763 . . . . 10.0 109.926 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -36.53 84.05 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.475 -0.765 . . . . 10.0 109.681 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 12' ' ' ILE . 5.9 mm -75.98 -40.17 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.234 -0.916 . . . . 10.0 109.853 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.1 t -62.34 -32.55 73.34 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.43 -0.794 . . . . 10.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -50.95 70.38 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.303 -0.873 . . . . 10.0 109.911 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.47 -24.06 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.476 -0.765 . . . . 10.0 110.392 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.4 -24.9 34.18 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.205 -0.934 . . . . 10.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -56.12 17.43 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.169 -0.957 . . . . 10.0 110.608 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 21' ' ' THR . 3.9 p30 -61.39 -27.88 68.85 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.221 -0.925 . . . . 10.0 109.794 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -77.91 -38.11 46.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.413 -0.805 . . . . 10.0 109.619 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -77.88 -37.89 47.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.541 -0.725 . . . . 10.0 110.363 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 18' ' ' ASP . 1.5 t -60.69 -34.98 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.315 -0.866 . . . . 10.0 110.064 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.848 ' HE3' HD22 ' A' ' 23' ' ' LEU . 69.2 t90 -74.63 -44.02 52.55 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.79 . . . . 10.0 109.119 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.848 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -64.26 -41.11 97.1 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.537 -0.727 . . . . 10.0 110.057 179.686 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -65.13 -28.96 69.79 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.529 -0.732 . . . . 10.0 110.415 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.49 -42.01 79.25 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.261 -0.899 . . . . 10.0 109.741 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -11.91 41.39 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.51 -0.744 . . . . 10.0 110.661 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 58.75 52.6 6.55 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.502 -0.749 . . . . 10.0 110.221 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.6 ttm -107.7 136.61 19.65 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.326 -0.859 . . . . 10.0 110.315 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -75.07 -173.1 1.46 Allowed 'Trans proline' 0 C--N 1.314 -1.284 0 O-C-N 123.877 1.461 . . . . 10.0 110.405 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -84.68 88.77 7.38 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.311 -0.868 . . . . 10.0 110.03 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 118.16 -0.924 . . . . 10.0 110.266 -179.825 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.154 0.502 . . . . 10.0 110.419 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.03 -178.04 50.96 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.648 -1.381 . . . . 10.0 109.648 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.51 38.67 28.11 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.721 -0.87 . . . . 10.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -126.99 16.95 7.3 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.217 -0.927 . . . . 10.0 110.903 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.772 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -94.66 -7.29 41.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.002 -1.061 . . . . 10.0 110.607 179.324 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -65.9 -14.07 60.84 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.22 -0.925 . . . . 10.0 110.915 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -114.36 -42.6 3.3 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.192 -0.943 . . . . 10.0 109.876 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.772 HG22 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tt -64.04 -26.42 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.658 -0.651 . . . . 10.0 110.999 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -71.02 -23.79 62.23 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.181 -0.949 . . . . 10.0 110.85 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.422 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -78.35 -35.73 47.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.865 . . . . 10.0 109.404 179.248 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -64.2 -32.57 74.19 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.692 . . . . 10.0 109.43 178.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.2 mm -89.18 -31.3 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.189 -0.945 . . . . 10.0 110.272 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.82 -43.04 38.06 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.159 -0.963 . . . . 10.0 110.411 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.3 -45.79 91.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.33 -0.856 . . . . 10.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.05 -31.54 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.393 -0.817 . . . . 10.0 110.486 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.3 -23.0 30.48 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.298 -0.876 . . . . 10.0 110.172 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -62.31 -53.41 55.43 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.191 -0.943 . . . . 10.0 110.055 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -34.51 73.34 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.419 -0.801 . . . . 10.0 109.278 179.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.44 -36.46 60.74 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.694 -0.629 . . . . 10.0 110.453 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -70.82 -42.91 69.63 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.445 -0.785 . . . . 10.0 110.324 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.1 m -57.09 -42.71 81.26 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.424 -0.798 . . . . 10.0 109.739 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.839 ' HE3' HD22 ' A' ' 23' ' ' LEU . 56.1 t90 -70.6 -44.82 66.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.56 -0.713 . . . . 10.0 109.523 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.839 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -62.1 -37.92 86.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.445 -0.784 . . . . 10.0 110.247 179.659 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -77.09 -38.33 52.61 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.438 -0.789 . . . . 10.0 109.974 179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.45 87.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.473 -0.767 . . . . 10.0 109.625 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.0 tmtm? -84.43 -22.86 30.22 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.636 -0.665 . . . . 10.0 110.084 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 26' ' ' LYS . 0.6 OUTLIER 64.84 115.32 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 CA-C-O 121.579 0.704 . . . . 10.0 111.065 -179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.549 ' HB2' HD12 ' A' ' 23' ' ' LEU . 2.9 ttp -99.08 114.41 65.5 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.465 -0.772 . . . . 10.0 110.249 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.93 176.93 8.81 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 O-C-N 123.887 1.467 . . . . 10.0 110.709 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.05 91.5 7.2 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.353 -0.842 . . . . 10.0 109.879 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 117.968 -1.015 . . . . 10.0 110.428 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 121.194 0.521 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.7 102.23 2.84 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.567 -1.413 . . . . 10.0 109.567 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 52.3 36.69 20.29 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.708 -0.878 . . . . 10.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.535 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 6.1 m95 -134.34 -165.94 1.73 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.388 -0.82 . . . . 10.0 110.186 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.0 mt 65.95 -66.8 0.15 Allowed 'General case' 0 N--CA 1.508 2.429 0 O-C-N 122.114 -0.366 . . . . 10.0 110.633 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -54.32 -30.93 52.97 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.415 -0.803 . . . . 10.0 109.995 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.7 -19.71 18.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.558 -0.713 . . . . 10.0 111.11 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 5' ' ' LEU . 3.3 tp -61.32 -29.94 46.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.082 -1.011 . . . . 10.0 110.582 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -74.89 -37.24 62.17 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.246 -0.908 . . . . 10.0 109.293 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -63.74 -42.96 97.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.663 -0.648 . . . . 10.0 109.735 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.44 -38.12 86.03 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.525 -0.734 . . . . 10.0 110.116 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.0 mm -81.09 -39.89 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.152 -0.967 . . . . 10.0 110.198 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.4 t -61.77 -39.41 91.54 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.722 . . . . 10.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -63.9 -46.75 83.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.277 -0.89 . . . . 10.0 110.165 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.05 -36.94 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.502 -0.749 . . . . 10.0 109.995 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -44.8 79.89 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.426 -0.796 . . . . 10.0 110.378 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -40.31 96.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.381 -0.824 . . . . 10.0 109.763 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.02 -40.92 86.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.606 -0.684 . . . . 10.0 109.224 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -65.65 -37.86 87.71 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.674 -0.641 . . . . 10.0 109.877 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -71.93 -42.04 67.12 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.454 -0.779 . . . . 10.0 109.73 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.8 m -62.1 -41.34 98.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.61 -0.681 . . . . 10.0 109.617 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.566 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 37.7 t90 -63.25 -42.94 99.23 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.624 -0.672 . . . . 10.0 109.99 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.68 -38.67 91.99 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.304 -0.873 . . . . 10.0 110.538 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -72.96 -42.38 63.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.408 -0.807 . . . . 10.0 110.356 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.73 63.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.493 -0.754 . . . . 10.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -29.69 63.61 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.342 -0.849 . . . . 10.0 110.897 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.35 -82.0 0.12 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.187 -0.946 . . . . 10.0 110.299 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.7 ttt -171.86 113.25 0.4 Allowed Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 121.109 -0.994 . . . . 10.0 110.466 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -74.88 170.34 20.61 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.889 1.468 . . . . 10.0 110.415 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -55.11 135.16 49.46 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.422 -0.799 . . . . 10.0 110.653 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 117.925 -1.036 . . . . 10.0 110.467 -179.725 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 120.824 0.345 . . . . 10.0 110.391 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.92 -168.53 24.25 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.713 -1.355 . . . . 10.0 109.713 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -117.59 54.12 0.91 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.518 -0.989 . . . . 10.0 110.101 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.44 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.04 -142.45 0.14 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.353 -0.842 . . . . 10.0 109.918 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.454 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -51.32 -33.57 29.75 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.238 -0.913 . . . . 10.0 110.383 179.813 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -34.09 59.25 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.511 -0.743 . . . . 10.0 110.295 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.59 -36.02 11.41 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.67 -0.644 . . . . 10.0 109.669 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.2 -30.73 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.579 -0.701 . . . . 10.0 110.68 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.45 ' CZ2' ' HB3' ' A' ' 5' ' ' LEU . 41.5 m0 -68.14 -43.44 78.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.198 -0.939 . . . . 10.0 109.961 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -64.89 -39.84 94.17 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.56 -0.712 . . . . 10.0 110.204 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.52 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.42 -34.58 69.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.39 -0.819 . . . . 10.0 109.843 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.52 HG12 ' CD1' ' A' ' 11' ' ' TRP . 4.9 mm -91.57 -33.41 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.181 -0.95 . . . . 10.0 110.345 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.43 -46.25 64.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 10.0 110.268 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.63 -37.13 75.26 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.389 -0.819 . . . . 10.0 110.77 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 p -86.27 -12.63 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.344 -0.848 . . . . 10.0 111.639 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -108.55 -30.05 8.45 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.879 -1.138 . . . . 10.0 111.236 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -60.35 -46.13 91.02 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.109 -0.994 . . . . 10.0 110.496 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.75 -30.79 69.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.329 -0.857 . . . . 10.0 109.869 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -85.66 -40.48 16.14 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.57 -0.707 . . . . 10.0 110.452 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -44.07 62.92 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.482 -0.761 . . . . 10.0 110.659 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.1 m -59.36 -43.62 92.82 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.467 -0.771 . . . . 10.0 110.049 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.819 ' HE3' HD22 ' A' ' 23' ' ' LEU . 77.5 t90 -66.62 -43.55 84.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.407 -0.808 . . . . 10.0 109.808 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.819 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.5 OUTLIER -58.13 -39.71 79.42 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 10.0 110.045 179.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -69.39 -33.26 72.76 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 10.0 110.259 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.06 79.02 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.494 -0.754 . . . . 10.0 110.101 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -27.41 21.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.436 -0.79 . . . . 10.0 110.53 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 tp -81.31 -51.83 7.95 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.315 -0.866 . . . . 10.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.1 120.25 67.05 Favored Pre-proline 0 N--CA 1.496 1.826 0 O-C-N 121.36 -0.837 . . . . 10.0 110.319 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -75.41 170.14 20.92 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 O-C-N 124.002 1.527 . . . . 10.0 110.58 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -59.22 116.87 4.17 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.44 -0.787 . . . . 10.0 110.386 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 118.24 -0.886 . . . . 10.0 110.475 -179.547 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 121.017 0.437 . . . . 10.0 110.476 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.43 -136.2 2.87 Favored Glycine 0 N--CA 1.495 2.569 0 N-CA-C 109.782 -1.327 . . . . 10.0 109.782 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -147.7 -50.57 0.18 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.515 -0.991 . . . . 10.0 110.469 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -75.13 -145.41 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.748 . . . . 10.0 110.122 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.973 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -54.97 -26.7 38.4 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.132 -0.98 . . . . 10.0 111.164 -179.788 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -60.48 -25.8 66.32 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 10.0 110.818 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -119.17 -29.99 5.08 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.301 -0.874 . . . . 10.0 110.908 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.973 HG22 ' HA ' ' A' ' 5' ' ' LEU . 5.7 tt -65.75 -24.85 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.163 -0.961 . . . . 10.0 111.126 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -32.69 72.78 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.084 -1.01 . . . . 10.0 109.718 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.08 -37.44 82.69 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.431 -0.793 . . . . 10.0 109.702 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.553 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -54.96 -45.83 74.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.447 -0.783 . . . . 10.0 109.226 178.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.1 mp -84.75 -39.6 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.264 -0.897 . . . . 10.0 110.584 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 t -66.7 -44.29 82.1 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.399 -0.813 . . . . 10.0 111.114 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.63 -44.24 97.35 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.395 -0.815 . . . . 10.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.94 -37.44 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.507 -0.746 . . . . 10.0 110.143 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -38.28 89.28 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.493 -0.754 . . . . 10.0 110.283 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -43.53 88.22 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.434 -0.791 . . . . 10.0 110.164 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.88 -36.2 83.13 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.433 -0.792 . . . . 10.0 109.699 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.61 -14.83 59.54 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.523 -0.736 . . . . 10.0 110.706 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.8 -30.52 10.81 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.089 -1.007 . . . . 10.0 110.466 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 t -61.26 -38.59 87.26 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.46 -0.775 . . . . 10.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.615 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 9.4 p-90 -76.94 -28.91 55.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.163 -0.96 . . . . 10.0 109.965 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.615 HD22 ' CZ2' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -58.42 -45.01 89.29 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.482 -0.761 . . . . 10.0 109.555 179.347 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -73.07 -36.16 66.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.562 -0.711 . . . . 10.0 109.737 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.18 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.465 -0.772 . . . . 10.0 109.674 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -86.22 -23.52 26.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.492 -0.755 . . . . 10.0 110.017 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 57.19 72.5 0.51 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.555 -0.716 . . . . 10.0 110.583 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -105.47 116.59 59.94 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 121.436 -0.79 . . . . 10.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -76.13 178.31 7.65 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.955 1.502 . . . . 10.0 110.753 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -73.93 112.5 10.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.334 -0.854 . . . . 10.0 109.902 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 117.92 -1.038 . . . . 10.0 110.443 -179.823 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.101 0.477 . . . . 10.0 110.324 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.31 145.71 17.35 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.72 -1.352 . . . . 10.0 109.72 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.716 ' HB2' HD23 ' A' ' 5' ' ' LEU . 4.4 p -130.66 -71.98 0.57 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.482 -1.011 . . . . 10.0 110.2 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.0 t90 56.54 26.15 10.67 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.623 -0.673 . . . . 10.0 111.719 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 3' ' ' SER . 1.0 OUTLIER -82.16 -14.16 56.09 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.966 -1.084 . . . . 10.0 110.631 179.341 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.38 -6.2 56.29 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.227 -0.921 . . . . 10.0 110.4 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -115.48 -37.96 3.88 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.391 -0.818 . . . . 10.0 109.737 179.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 5' ' ' LEU . 13.9 tt -66.19 -22.45 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.443 -0.785 . . . . 10.0 110.997 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -63.01 -23.33 67.4 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.313 -0.867 . . . . 10.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.58 -36.71 83.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.243 -0.911 . . . . 10.0 109.456 179.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.9 -48.15 82.46 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 178.919 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.6 mp -75.74 -27.31 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.298 -0.876 . . . . 10.0 110.157 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.1 t -58.23 -45.44 87.72 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.36 -0.838 . . . . 10.0 110.26 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.76 -45.81 67.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.449 -0.782 . . . . 10.0 109.913 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 50.2 t -62.51 -34.87 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.566 -0.709 . . . . 10.0 110.103 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -32.97 73.98 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.43 -0.794 . . . . 10.0 110.178 179.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -38.89 86.67 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.498 -0.751 . . . . 10.0 109.731 179.385 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 21' ' ' THR . 21.5 m-20 -64.74 -28.32 69.51 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.523 -0.736 . . . . 10.0 109.809 178.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -87.43 -24.19 24.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.428 -0.795 . . . . 10.0 110.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -93.77 -18.76 21.72 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.336 -0.852 . . . . 10.0 110.779 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 18' ' ' ASP . 13.5 t -55.66 -35.32 65.84 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.239 -0.913 . . . . 10.0 110.084 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.635 ' HE3' HD22 ' A' ' 23' ' ' LEU . 82.4 t90 -70.37 -38.49 74.76 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.448 -0.782 . . . . 10.0 109.563 179.009 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.635 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.16 -39.44 78.87 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.525 -0.734 . . . . 10.0 109.597 179.435 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -64.77 -38.86 92.4 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.498 -0.751 . . . . 10.0 109.544 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.56 -43.57 69.21 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.547 -0.721 . . . . 10.0 110.096 179.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.16 65.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.397 -0.814 . . . . 10.0 110.481 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.5 -33.69 73.21 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.447 -0.783 . . . . 10.0 110.487 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.92 116.26 66.21 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.346 -0.846 . . . . 10.0 110.221 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -74.49 -174.51 1.86 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.871 1.458 . . . . 10.0 110.742 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.74 126.58 27.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.451 -0.781 . . . . 10.0 110.112 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 118.239 -0.886 . . . . 10.0 110.312 -179.752 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 120.912 0.387 . . . . 10.0 110.306 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.24 -70.94 0.04 OUTLIER Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.33 -1.508 . . . . 10.0 109.33 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 7' ' ' ASP . 38.6 m 51.35 60.19 4.05 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.845 -0.797 . . . . 10.0 110.768 179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -90.24 -139.85 0.15 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.341 -0.85 . . . . 10.0 109.804 179.849 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.728 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.1 mp -54.22 -27.27 33.37 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.062 -1.024 . . . . 10.0 110.983 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -66.44 -36.47 82.87 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.378 -0.826 . . . . 10.0 110.339 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.54 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 2.6 t0 -97.94 -21.44 16.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.384 -0.823 . . . . 10.0 110.778 179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -77.79 6.41 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.037 -1.039 . . . . 10.0 111.082 179.859 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.494 ' O ' HG22 ' A' ' 12' ' ' ILE . 61.6 t90 -109.99 -47.6 3.31 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.076 -1.015 . . . . 10.0 109.036 178.629 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.06 -38.47 90.9 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.454 -0.779 . . . . 10.0 109.79 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CE2' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -62.98 -23.08 67.26 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.527 -0.733 . . . . 10.0 110.171 179.177 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.571 HD13 ' CE2' ' A' ' 11' ' ' TRP . 1.4 tp -93.68 -18.85 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.394 -0.816 . . . . 10.0 110.691 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.1 t -85.32 -42.88 14.2 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.158 -0.964 . . . . 10.0 110.354 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.32 -45.47 80.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.831 . . . . 10.0 110.176 179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.59 -29.78 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.447 -0.783 . . . . 10.0 109.957 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -37.87 89.05 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.497 -0.752 . . . . 10.0 109.766 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -57.27 -49.84 74.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.524 -0.735 . . . . 10.0 109.909 179.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.9 -43.69 69.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.667 -0.646 . . . . 10.0 109.593 179.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -39.78 71.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.642 -0.661 . . . . 10.0 110.046 179.098 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -63.71 -44.9 92.25 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.386 -0.821 . . . . 10.0 109.923 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.2 m -58.59 -40.43 83.2 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.541 -0.724 . . . . 10.0 109.812 179.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.569 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 53.5 t90 -65.32 -42.72 92.67 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.579 -0.7 . . . . 10.0 109.79 179.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.569 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.98 -44.04 70.25 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.474 -0.766 . . . . 10.0 110.533 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -64.06 -39.36 93.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.442 -0.786 . . . . 10.0 110.252 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.06 -35.53 80.05 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.512 -0.742 . . . . 10.0 110.371 179.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -72.49 -31.51 65.44 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.357 -0.839 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tp -72.88 -47.48 45.66 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.416 -0.802 . . . . 10.0 110.228 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.5 ttm 52.79 62.82 9.52 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.723 -0.61 . . . . 10.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.92 -167.36 0.41 Allowed 'Trans proline' 0 C--N 1.315 -1.214 0 O-C-N 123.703 1.37 . . . . 10.0 110.573 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.94 104.41 1.72 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.267 -0.896 . . . . 10.0 110.099 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.498 1.946 0 CA-C-O 117.935 -1.031 . . . . 10.0 110.44 -179.597 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 120.889 0.376 . . . . 10.0 110.344 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.98 -94.58 0.18 Allowed Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.436 -1.466 . . . . 10.0 109.436 179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m 55.32 37.41 28.86 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.796 -0.826 . . . . 10.0 110.987 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' HE3' HD11 ' A' ' 8' ' ' ILE . 1.8 t90 66.99 142.68 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.604 0.716 . . . . 10.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 pp -160.99 34.52 0.15 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.417 -0.802 . . . . 10.0 110.608 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.19 -46.74 10.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.213 -0.93 . . . . 10.0 110.023 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -110.1 17.55 20.91 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.753 . . . . 10.0 110.823 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.533 HD11 ' HE3' ' A' ' 4' ' ' TRP . 1.8 mt -107.01 -36.97 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.16 -0.963 . . . . 10.0 109.855 179.521 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.472 ' CH2' HD13 ' A' ' 5' ' ' LEU . 23.0 m0 -63.89 -44.68 92.26 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.551 -0.718 . . . . 10.0 110.318 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.45 -41.4 89.58 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.462 -0.774 . . . . 10.0 110.447 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.09 -31.51 71.19 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.51 -0.744 . . . . 10.0 110.477 179.896 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.664 HG23 HD12 ' A' ' 16' ' ' LEU . 3.8 mm -93.23 -42.76 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.1 -1.0 . . . . 10.0 110.607 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -63.83 -35.31 80.2 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.37 -0.832 . . . . 10.0 111.138 -179.551 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.79 -36.52 76.9 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.983 -1.073 . . . . 10.0 110.635 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.9 t -92.1 -22.71 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.403 -0.811 . . . . 10.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.664 HD12 HG23 ' A' ' 12' ' ' ILE . 4.0 mt -89.72 -43.92 10.36 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.995 -1.065 . . . . 10.0 111.14 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 m -60.92 -47.66 85.39 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.354 -0.841 . . . . 10.0 110.617 -179.598 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.15 -40.03 84.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.409 -0.807 . . . . 10.0 109.669 179.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -62.97 -34.86 78.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.606 -0.684 . . . . 10.0 110.1 179.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -44.82 68.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.386 -0.821 . . . . 10.0 109.771 179.475 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -70.52 -39.6 73.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.506 -0.746 . . . . 10.0 109.798 179.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.562 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 25.6 t90 -59.78 -41.99 92.33 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.538 -0.726 . . . . 10.0 110.129 179.592 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -64.49 -49.99 69.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.473 -0.767 . . . . 10.0 110.658 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -34.47 77.25 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.436 -0.79 . . . . 10.0 110.749 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.15 -23.6 67.38 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.44 -0.788 . . . . 10.0 111.177 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 2.1 tppt? -108.41 -36.62 6.19 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.122 -0.986 . . . . 10.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.45 -49.99 74.59 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.288 -0.883 . . . . 10.0 110.425 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 tpp 51.77 72.16 1.28 Allowed Pre-proline 0 N--CA 1.5 2.056 0 O-C-N 121.651 -0.655 . . . . 10.0 110.622 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.69 173.44 11.8 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 O-C-N 123.705 1.371 . . . . 10.0 110.752 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -39.07 70.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.373 -0.829 . . . . 10.0 110.624 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.502 2.141 0 CA-C-O 118.043 -0.98 . . . . 10.0 110.809 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.063 0.459 . . . . 10.0 110.291 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.83 74.21 0.72 Allowed Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.614 -1.394 . . . . 10.0 109.614 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -92.03 -42.37 10.01 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.427 -1.043 . . . . 10.0 110.772 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -100.92 27.23 6.16 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.263 -0.898 . . . . 10.0 111.077 -179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 tp -88.97 -8.13 54.71 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.013 -1.055 . . . . 10.0 110.827 179.566 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -15.07 44.64 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.232 -0.918 . . . . 10.0 110.463 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' HA ' ' OD1' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -122.85 12.39 9.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.419 -0.8 . . . . 10.0 110.382 179.513 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 5' ' ' LEU . 6.2 tt -107.5 -34.15 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.12 -0.987 . . . . 10.0 110.709 179.364 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.407 ' CG ' ' N ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -72.62 -43.88 62.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.356 -0.84 . . . . 10.0 109.371 -179.83 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 p-10 -55.48 -36.78 67.01 Favored 'General case' 0 N--CA 1.499 2.007 0 N-CA-C 109.27 -0.641 . . . . 10.0 109.27 178.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.611 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -65.2 -51.01 63.66 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 178.52 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.71 -32.07 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.607 -0.683 . . . . 10.0 110.58 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -66.45 -38.24 86.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.354 -0.841 . . . . 10.0 110.199 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.05 -46.27 78.38 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.612 -0.68 . . . . 10.0 109.928 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.0 t -61.81 -29.26 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.654 -0.653 . . . . 10.0 110.257 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -28.84 42.7 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.36 -0.838 . . . . 10.0 110.103 179.39 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -48.7 72.37 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.334 -0.854 . . . . 10.0 110.08 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.506 ' O ' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -66.1 -23.16 66.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.295 -0.878 . . . . 10.0 109.941 179.084 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -38.13 24.34 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.418 -0.801 . . . . 10.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -79.98 -32.5 39.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.584 -0.698 . . . . 10.0 110.77 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 18' ' ' ASP . 6.1 t -56.98 -34.7 68.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.27 -0.894 . . . . 10.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.562 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.9 t90 -66.86 -41.28 87.59 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.412 -0.805 . . . . 10.0 109.677 179.249 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -66.52 -42.17 87.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.449 -0.782 . . . . 10.0 110.284 179.64 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -41.63 84.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.538 -0.726 . . . . 10.0 110.402 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.48 73.88 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.463 -0.773 . . . . 10.0 110.479 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -43.23 18.76 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.372 -0.83 . . . . 10.0 110.105 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.99 -39.08 76.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.508 -0.745 . . . . 10.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.2 ttp -113.68 96.84 42.21 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.462 -0.774 . . . . 10.0 110.145 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.52 -172.36 1.28 Allowed 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 123.941 1.495 . . . . 10.0 110.799 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -63.84 143.18 58.05 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.353 -0.842 . . . . 10.0 110.747 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.264 -0.874 . . . . 10.0 110.509 -179.791 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 120.983 0.42 . . . . 10.0 110.317 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.02 128.47 7.06 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.625 -1.39 . . . . 10.0 109.625 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -152.25 -54.71 0.13 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.444 -1.033 . . . . 10.0 110.476 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -135.82 134.08 38.52 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.377 -0.827 . . . . 10.0 109.9 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 8' ' ' ILE . 3.6 mm? -110.29 -26.02 9.81 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.508 -0.745 . . . . 10.0 110.994 -179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.23 -21.01 66.28 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.135 -0.978 . . . . 10.0 111.092 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -105.75 -19.87 13.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 10.0 111.116 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.701 HG21 HD13 ' A' ' 5' ' ' LEU . 11.7 tt -66.3 -17.63 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.185 -0.947 . . . . 10.0 111.412 -179.643 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -35.96 82.05 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.028 -1.045 . . . . 10.0 109.642 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -53.28 -37.1 61.88 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.677 -0.639 . . . . 10.0 110.137 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.57 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -60.2 -49.62 76.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 10.0 109.27 178.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' HA ' HG12 ' A' ' 15' ' ' VAL . 2.6 mp -77.26 -29.29 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.364 -0.835 . . . . 10.0 110.085 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.6 t -59.39 -39.48 83.51 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.282 -0.886 . . . . 10.0 110.149 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.27 -56.58 10.54 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.512 -0.743 . . . . 10.0 110.068 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 12' ' ' ILE . 10.5 p -62.22 -29.17 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.398 -0.814 . . . . 10.0 110.359 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 3.6 tt -62.18 -41.08 97.98 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.232 -0.918 . . . . 10.0 109.401 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t -64.39 -37.91 89.18 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.606 -0.684 . . . . 10.0 109.372 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -61.74 -43.98 97.8 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 178.301 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -61.76 -35.52 78.35 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.678 -0.639 . . . . 10.0 109.506 178.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -38.38 90.88 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.397 -0.814 . . . . 10.0 109.09 178.622 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -63.49 -40.43 97.07 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.828 -0.805 . . . . 10.0 108.828 178.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.629 ' CE3' HD22 ' A' ' 23' ' ' LEU . 82.7 t90 -66.43 -40.1 89.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 10.0 109.269 178.604 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.629 HD22 ' CE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -56.77 -38.11 72.0 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.567 -0.708 . . . . 10.0 109.538 179.251 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.8 89.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.513 -0.742 . . . . 10.0 109.139 178.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.75 84.58 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 178.604 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -66.93 -32.75 74.2 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.573 -0.704 . . . . 10.0 109.453 178.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 27' ' ' LEU . 1.3 tm? -73.9 -46.11 46.57 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.533 -0.729 . . . . 10.0 109.643 179.221 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.86 117.52 54.45 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.641 -0.662 . . . . 10.0 110.377 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -77.02 -174.34 2.15 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.974 1.513 . . . . 10.0 110.593 179.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.89 76.77 6.26 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.256 -0.903 . . . . 10.0 109.759 179.643 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 117.956 -1.021 . . . . 10.0 110.563 -179.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.877 0.37 . . . . 10.0 110.338 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -74.92 95.5 0.92 Allowed Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.53 -1.428 . . . . 10.0 109.53 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -91.79 -49.57 6.19 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.464 -1.021 . . . . 10.0 110.319 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.77 -165.17 1.98 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.482 -0.761 . . . . 10.0 110.22 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 8' ' ' ILE . 1.2 mp 59.52 21.81 10.34 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.674 -0.641 . . . . 10.0 111.596 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.07 -35.12 11.47 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.18 -0.95 . . . . 10.0 109.506 179.017 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.44 -20.05 18.71 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.702 -0.624 . . . . 10.0 110.138 179.244 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.521 HG21 ' HG ' ' A' ' 5' ' ' LEU . 13.8 tt -61.6 -25.93 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.318 -0.864 . . . . 10.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -57.09 -35.47 69.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.272 -0.892 . . . . 10.0 110.529 -179.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -51.64 -39.23 57.73 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.619 -0.676 . . . . 10.0 110.331 179.408 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.544 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -60.18 -53.25 59.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.609 -0.682 . . . . 10.0 109.765 179.387 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.68 -30.52 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.449 -0.782 . . . . 10.0 110.269 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.63 -39.07 79.47 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.416 -0.802 . . . . 10.0 110.026 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -67.56 -48.72 66.11 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 10.0 109.686 179.257 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.84 -35.19 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.603 -0.686 . . . . 10.0 109.74 179.206 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.79 -26.21 66.85 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.49 -0.756 . . . . 10.0 110.078 179.263 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.425 -0.797 . . . . 10.0 109.726 179.224 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.83 -42.26 97.39 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 108.998 -0.742 . . . . 10.0 108.998 178.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.35 -35.76 80.04 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.732 -0.605 . . . . 10.0 109.737 178.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -61.82 -42.34 98.9 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.42 -0.8 . . . . 10.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 m -66.42 -42.69 87.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.604 -0.685 . . . . 10.0 109.692 179.436 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -62.43 -42.93 99.81 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.586 -0.696 . . . . 10.0 109.811 179.302 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 23' ' ' LEU . 4.6 tp -71.77 -37.92 70.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.543 -0.723 . . . . 10.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -70.42 -33.85 71.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.284 -0.885 . . . . 10.0 110.311 179.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.69 85.08 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.461 -0.774 . . . . 10.0 110.212 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -22.64 31.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.457 -0.777 . . . . 10.0 110.489 179.628 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.48 113.22 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.799 -0.563 . . . . 10.0 110.472 -179.835 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.468 ' SD ' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER 67.89 120.24 0.03 OUTLIER Pre-proline 0 N--CA 1.504 2.227 0 O-C-N 121.816 -0.553 . . . . 10.0 110.74 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD2' ' SD ' ' A' ' 28' ' ' MET . 45.8 Cg_endo -71.28 -168.46 0.34 Allowed 'Trans proline' 0 N--CA 1.493 1.464 0 O-C-N 123.798 1.42 . . . . 10.0 110.796 179.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.49 81.87 8.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.323 -0.861 . . . . 10.0 109.83 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 117.928 -1.034 . . . . 10.0 110.545 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 120.777 0.322 . . . . 10.0 110.44 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.27 114.74 0.31 Allowed Glycine 0 N--CA 1.495 2.605 0 N-CA-C 110.113 -1.195 . . . . 10.0 110.113 179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 7' ' ' ASP . 11.1 t -161.39 -76.63 0.05 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.605 -0.938 . . . . 10.0 109.963 179.651 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.497 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -160.05 -150.44 0.22 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.505 -0.747 . . . . 10.0 109.903 179.756 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -56.71 -27.82 59.81 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.262 -0.899 . . . . 10.0 110.973 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -28.43 68.21 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.213 -0.929 . . . . 10.0 109.804 179.044 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.421 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 8.7 t70 -100.47 -32.55 10.74 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.823 -0.548 . . . . 10.0 110.202 179.633 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.503 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 1.2 tt -59.63 -37.19 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.487 -0.758 . . . . 10.0 110.487 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -35.37 80.05 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.969 -1.082 . . . . 10.0 109.301 178.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.49 -41.88 92.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.744 -0.597 . . . . 10.0 109.827 179.06 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.626 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -63.58 -33.84 76.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 10.0 109.789 179.549 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.8 mm -79.97 -14.44 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.255 -0.903 . . . . 10.0 110.684 179.121 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.4 t -94.04 -10.48 33.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.985 -1.072 . . . . 10.0 111.456 -179.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -102.25 -55.07 2.55 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.996 -1.065 . . . . 10.0 110.66 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.626 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 80.7 t -57.54 -37.42 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.51 -0.744 . . . . 10.0 110.834 -179.715 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.37 -42.53 75.06 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.369 -0.832 . . . . 10.0 110.197 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 -40.55 83.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.466 -0.771 . . . . 10.0 109.649 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.84 -38.11 89.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.48 -0.763 . . . . 10.0 109.331 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -74.81 -39.33 61.73 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.625 -0.672 . . . . 10.0 110.196 179.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -68.39 -48.68 64.06 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.278 -0.889 . . . . 10.0 109.656 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.4 m -61.5 -41.15 96.86 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.587 -0.696 . . . . 10.0 109.83 179.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.503 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 12.7 t90 -65.81 -38.79 89.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.552 -0.717 . . . . 10.0 110.254 179.497 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -60.37 -47.98 83.72 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.362 -0.836 . . . . 10.0 110.264 -179.81 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -37.38 78.43 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 10.0 109.877 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.22 84.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.458 -0.776 . . . . 10.0 109.942 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -31.01 44.93 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.564 -0.71 . . . . 10.0 110.106 179.475 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 27' ' ' LEU . 72.6 mt -95.29 -144.11 0.26 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.344 -0.848 . . . . 10.0 110.039 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.645 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 17.0 ttt -173.21 -58.7 0.0 OUTLIER Pre-proline 0 N--CA 1.499 1.986 0 O-C-N 121.115 -0.991 . . . . 10.0 110.778 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 47.5 Cg_endo -71.42 79.77 1.43 Allowed 'Trans proline' 0 N--CA 1.491 1.333 0 O-C-N 123.341 1.18 . . . . 10.0 110.799 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.16 58.52 0.24 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.446 -0.784 . . . . 10.0 109.801 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 117.92 -1.038 . . . . 10.0 110.458 -179.726 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 120.9 0.381 . . . . 10.0 110.515 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.49 150.79 26.02 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.75 -1.34 . . . . 10.0 109.75 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.08 43.79 23.68 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.685 -0.891 . . . . 10.0 110.642 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.469 ' HE3' ' HB3' ' A' ' 7' ' ' ASP . 61.7 p-90 -76.98 118.33 19.46 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.287 -0.883 . . . . 10.0 110.533 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.484 ' O ' HG22 ' A' ' 8' ' ' ILE . 4.5 tp -123.66 -26.08 4.22 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.511 -0.743 . . . . 10.0 111.234 -179.224 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -34.4 74.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.968 -1.082 . . . . 10.0 110.079 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.469 ' HB3' ' HE3' ' A' ' 4' ' ' TRP . 23.6 t70 -79.55 -38.94 33.01 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.561 -0.712 . . . . 10.0 110.394 179.626 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 5' ' ' LEU . 6.5 tt -71.7 -26.69 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.218 -0.927 . . . . 10.0 110.649 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -60.09 -38.07 81.81 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.3 -0.875 . . . . 10.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.76 -39.36 68.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.564 -0.71 . . . . 10.0 110.213 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -58.28 -49.89 75.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.62 -0.675 . . . . 10.0 109.507 179.132 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -76.96 -26.92 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.379 -0.826 . . . . 10.0 110.044 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.3 t -57.71 -42.18 83.27 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.465 -0.772 . . . . 10.0 110.203 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -47.23 82.72 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.477 -0.764 . . . . 10.0 109.691 179.314 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.99 -35.63 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.651 -0.655 . . . . 10.0 109.707 179.229 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.16 -42.43 80.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.503 -0.748 . . . . 10.0 109.777 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 m -59.54 -40.62 87.81 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 10.0 109.511 179.081 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -41.1 87.88 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.805 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -68.57 -36.76 79.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.68 -0.638 . . . . 10.0 110.043 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -62.12 -41.84 98.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.427 -0.796 . . . . 10.0 109.761 179.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.0 m -66.0 -39.9 90.69 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.576 -0.703 . . . . 10.0 109.517 179.017 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.592 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 45.7 t90 -65.53 -46.54 79.22 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.646 -0.659 . . . . 10.0 109.567 179.305 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.592 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.3 OUTLIER -66.54 -44.17 83.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.48 -0.762 . . . . 10.0 109.982 179.69 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -60.98 -37.4 82.31 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.509 -0.744 . . . . 10.0 109.923 179.399 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.537 ' HA ' ' HG2' ' A' ' 29' ' ' PRO . . . -75.18 -35.59 61.56 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.527 -0.733 . . . . 10.0 110.233 179.281 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -80.53 -6.87 58.85 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.276 -0.89 . . . . 10.0 110.976 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.16 -45.14 4.79 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.104 -0.997 . . . . 10.0 110.973 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.616 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 3.6 mtt -91.93 -67.65 0.11 Allowed Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.208 -0.933 . . . . 10.0 110.782 -179.453 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.616 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 52.0 Cg_endo -78.81 56.93 6.17 Favored 'Trans proline' 0 N--CA 1.487 1.088 0 O-C-N 123.113 1.06 . . . . 10.0 110.622 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -155.87 99.91 2.02 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.317 -0.864 . . . . 10.0 109.893 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 118.286 -0.864 . . . . 10.0 110.201 -179.857 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 121.114 0.483 . . . . 10.0 110.475 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.64 79.42 0.07 OUTLIER Glycine 0 N--CA 1.495 2.583 0 N-CA-C 109.529 -1.428 . . . . 10.0 109.529 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 m -90.24 -48.64 7.03 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.485 -1.009 . . . . 10.0 110.501 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.63 162.3 38.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.45 -0.781 . . . . 10.0 110.126 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -129.09 -21.45 3.28 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.481 -0.762 . . . . 10.0 111.916 -179.413 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 ttm105 -68.03 -19.73 64.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.006 -1.059 . . . . 10.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -107.85 -30.51 8.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.292 -0.88 . . . . 10.0 111.238 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.52 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -60.58 -34.93 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.102 -0.999 . . . . 10.0 110.536 -179.681 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.446 ' CZ3' HD12 ' A' ' 5' ' ' LEU . 25.0 m0 -79.75 -33.29 40.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.208 -0.932 . . . . 10.0 109.35 178.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.9 -38.36 88.05 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.616 -0.678 . . . . 10.0 110.034 179.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.521 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -56.14 -33.97 65.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.509 -0.744 . . . . 10.0 109.992 179.476 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.521 HG12 ' CD1' ' A' ' 11' ' ' TRP . 2.6 mm -94.14 -39.16 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.154 -0.966 . . . . 10.0 110.158 179.234 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.18 -43.25 74.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.437 -0.789 . . . . 10.0 110.889 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.28 -46.53 83.29 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.377 -0.827 . . . . 10.0 110.357 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.1 t -58.1 -36.6 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.373 -0.83 . . . . 10.0 110.235 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -40.08 33.85 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.461 -0.774 . . . . 10.0 109.977 179.393 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 7.8 t -64.69 -41.02 96.34 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.41 -0.806 . . . . 10.0 110.365 179.56 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.96 -30.73 71.34 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.24 -0.912 . . . . 10.0 109.626 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -78.08 -38.63 43.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.493 -0.754 . . . . 10.0 110.411 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -63.55 -28.35 69.88 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.383 -0.823 . . . . 10.0 110.671 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.525 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 83.3 m -82.91 -37.58 24.03 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.233 -0.917 . . . . 10.0 109.376 179.225 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.565 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 19.5 t90 -64.36 -40.96 96.87 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.561 -0.712 . . . . 10.0 109.559 179.057 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -63.95 -47.44 80.44 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.498 -0.751 . . . . 10.0 110.107 179.694 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -64.69 -45.88 84.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.559 -0.713 . . . . 10.0 109.61 179.34 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.93 94.85 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.655 -0.653 . . . . 10.0 109.982 179.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -60.63 -36.35 78.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.484 -0.76 . . . . 10.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -52.15 9.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.638 -0.664 . . . . 10.0 110.018 179.445 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.6 ptm -166.52 125.68 1.13 Allowed Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.631 -0.668 . . . . 10.0 110.512 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -73.99 -173.66 1.48 Allowed 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.667 1.351 . . . . 10.0 110.658 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -78.77 80.26 5.13 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.321 -0.862 . . . . 10.0 109.969 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 118.222 -0.894 . . . . 10.0 110.347 -179.745 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 120.988 0.423 . . . . 10.0 110.276 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 107.04 129.57 6.23 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.562 -1.415 . . . . 10.0 109.562 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -151.93 -60.74 0.16 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.449 -1.03 . . . . 10.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.527 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 2.7 m95 -109.67 -158.66 0.65 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.273 -0.892 . . . . 10.0 110.522 -179.582 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.617 ' HA ' HG22 ' A' ' 8' ' ' ILE . 3.5 mm? 68.07 -62.6 0.35 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.84 -0.538 . . . . 10.0 110.666 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -24.57 53.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.178 -0.951 . . . . 10.0 110.017 178.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -101.29 -35.23 9.33 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.462 -0.774 . . . . 10.0 110.313 179.439 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.617 HG22 ' HA ' ' A' ' 5' ' ' LEU . 10.4 tt -63.39 -31.93 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.134 -0.979 . . . . 10.0 110.332 179.728 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.45 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 44.2 m0 -64.62 -37.63 88.21 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.407 -0.808 . . . . 10.0 109.659 179.531 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -56.98 -40.32 76.3 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.731 -0.606 . . . . 10.0 109.633 179.066 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.566 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -57.53 -49.93 74.74 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 179.136 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.4 mt -73.62 -26.81 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.44 -0.788 . . . . 10.0 109.86 179.482 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.5 t -56.79 -46.5 81.52 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.419 -0.8 . . . . 10.0 110.235 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -45.69 65.93 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 109.885 179.347 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.01 -34.35 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.506 -0.746 . . . . 10.0 110.409 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -85.23 -27.47 26.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.421 -0.799 . . . . 10.0 110.757 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.4 t -59.35 -49.05 79.29 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.335 -0.853 . . . . 10.0 110.665 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -56.34 -39.47 72.89 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.311 -0.868 . . . . 10.0 109.557 179.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' O ' HD23 ' A' ' 23' ' ' LEU . 31.6 t80 -64.87 -30.81 71.82 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.612 -0.68 . . . . 10.0 109.842 178.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.3 tptp -84.75 -30.12 24.93 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.336 -0.852 . . . . 10.0 110.237 179.474 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -53.81 -48.75 69.57 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.336 -0.853 . . . . 10.0 109.193 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.658 ' HE3' HD22 ' A' ' 23' ' ' LEU . 80.6 t90 -70.39 -39.19 74.66 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.491 -0.756 . . . . 10.0 108.982 178.489 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.658 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.9 -35.11 72.49 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.646 -0.659 . . . . 10.0 109.698 179.132 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -68.51 -34.48 75.96 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.379 -0.826 . . . . 10.0 109.903 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.48 -47.02 77.5 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.422 -0.799 . . . . 10.0 110.437 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.96 -19.85 53.78 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.359 -0.838 . . . . 10.0 111.231 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.41 -44.25 9.76 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.017 -1.052 . . . . 10.0 110.132 179.605 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 14.3 ttp 54.71 67.33 3.36 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.624 -0.672 . . . . 10.0 110.892 179.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -75.64 165.02 31.16 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 O-C-N 123.82 1.432 . . . . 10.0 110.281 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.87 147.03 54.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.434 -0.791 . . . . 10.0 110.461 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.87 -1.062 . . . . 10.0 110.507 -179.844 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.021 0.439 . . . . 10.0 110.352 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.29 62.2 0.01 OUTLIER Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.001 -1.24 . . . . 10.0 110.001 179.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 51.29 38.14 20.63 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.69 -0.888 . . . . 10.0 111.18 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.18 -162.73 1.18 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.376 -0.827 . . . . 10.0 109.931 179.785 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 0.3 OUTLIER 57.06 29.04 15.83 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.736 -0.603 . . . . 10.0 111.303 179.869 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -96.14 -40.63 9.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.212 -0.93 . . . . 10.0 109.6 179.045 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.16 -18.97 18.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 10.0 110.34 179.424 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.508 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 15.8 tt -62.4 -28.84 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.265 -0.897 . . . . 10.0 110.741 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -74.53 -41.23 60.98 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.189 -0.944 . . . . 10.0 109.583 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.15 -46.38 87.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.615 -0.678 . . . . 10.0 110.254 179.765 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -59.64 -36.78 77.06 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.543 -0.723 . . . . 10.0 109.978 179.746 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.1 mm -71.7 -37.78 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.302 -0.874 . . . . 10.0 109.847 179.265 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.98 -35.68 81.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.586 -0.696 . . . . 10.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.11 -42.17 89.88 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.538 -0.726 . . . . 10.0 109.914 179.536 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.1 t -82.58 -27.67 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.5 -0.75 . . . . 10.0 109.681 179.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.6 -42.51 96.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.445 -0.785 . . . . 10.0 110.489 179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.3 p -63.26 -40.12 96.53 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.432 -0.792 . . . . 10.0 109.651 179.476 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -41.07 96.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.582 -0.699 . . . . 10.0 109.185 178.547 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -70.37 -36.85 74.39 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.674 -0.642 . . . . 10.0 109.608 178.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -43.88 92.16 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.63 -0.669 . . . . 10.0 109.641 179.225 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.6 m -61.42 -43.62 98.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.566 -0.709 . . . . 10.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.802 ' HE3' HD22 ' A' ' 23' ' ' LEU . 89.1 t90 -66.23 -38.88 88.96 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.623 -0.673 . . . . 10.0 109.784 179.072 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.802 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.36 -37.46 87.12 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.449 -0.782 . . . . 10.0 110.184 179.455 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -41.28 98.18 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.445 -0.785 . . . . 10.0 109.895 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.6 84.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.584 -0.698 . . . . 10.0 110.033 179.432 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -87.11 -6.21 58.75 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.464 -0.773 . . . . 10.0 110.716 179.45 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 70.48 118.38 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.714 -0.616 . . . . 10.0 110.646 -179.806 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.748 ' HG2' HD12 ' A' ' 23' ' ' LEU . 52.7 mtm -90.0 114.59 61.37 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.499 -0.751 . . . . 10.0 110.57 -179.818 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -75.99 -174.61 2.13 Favored 'Trans proline' 0 C--N 1.315 -1.192 0 O-C-N 123.792 1.417 . . . . 10.0 110.579 179.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -70.49 106.8 3.57 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.314 -0.866 . . . . 10.0 109.995 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 118.015 -0.993 . . . . 10.0 110.286 -179.822 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.3 m . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 120.852 0.358 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.8 -125.59 2.7 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.59 -1.404 . . . . 10.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -132.01 -49.17 0.94 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.611 -0.935 . . . . 10.0 110.713 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -154.07 -159.01 0.92 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.424 -0.797 . . . . 10.0 110.217 -179.679 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.588 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER 71.05 -58.39 0.57 Allowed 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.724 -0.61 . . . . 10.0 110.704 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.98 -28.16 55.87 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.458 -0.776 . . . . 10.0 110.38 179.519 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.48 -31.3 11.7 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.385 -0.822 . . . . 10.0 110.451 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 5' ' ' LEU . 2.8 tp -68.93 -31.58 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.042 -1.036 . . . . 10.0 110.146 179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -79.05 -39.69 33.26 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.241 -0.912 . . . . 10.0 109.033 178.744 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -41.62 96.57 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.69 -0.631 . . . . 10.0 110.175 179.418 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.1 -38.49 91.4 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.561 -0.712 . . . . 10.0 109.887 179.618 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 3.7 mm -68.87 -33.83 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.276 -0.89 . . . . 10.0 109.765 179.031 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -37.01 81.81 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.856 . . . . 10.0 110.087 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.96 -46.8 88.26 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.567 -0.708 . . . . 10.0 109.799 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -76.52 -24.51 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.442 -0.786 . . . . 10.0 110.107 179.283 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 1.1 tt -62.41 -46.47 88.42 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.337 -0.852 . . . . 10.0 110.315 179.704 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 p -64.12 -40.77 96.9 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.424 -0.798 . . . . 10.0 109.761 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.53 -37.05 82.31 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.656 -0.653 . . . . 10.0 109.346 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -69.48 -38.76 77.81 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.552 -0.718 . . . . 10.0 110.076 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.418 -0.801 . . . . 10.0 109.731 179.366 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.1 m -59.91 -40.98 90.67 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.622 -0.674 . . . . 10.0 109.79 179.191 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.831 ' HE3' HD22 ' A' ' 23' ' ' LEU . 86.9 t90 -62.82 -39.93 95.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 10.0 109.781 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.831 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -61.03 -46.22 91.61 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.509 -0.744 . . . . 10.0 109.777 179.348 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -63.5 -28.7 70.13 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.532 -0.73 . . . . 10.0 110.403 179.571 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 22' ' ' TRP . . . -57.24 -35.66 69.98 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.237 -0.914 . . . . 10.0 109.929 179.428 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.91 -34.38 9.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.508 -0.745 . . . . 10.0 110.133 179.269 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.52 -167.09 1.71 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.383 -0.823 . . . . 10.0 110.623 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.551 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 1.3 mtm -165.31 -60.83 0.01 OUTLIER Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.503 -0.748 . . . . 10.0 110.222 179.589 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 53.6 Cg_endo -79.6 60.49 7.84 Favored 'Trans proline' 0 N--CA 1.487 1.137 0 O-C-N 123.367 1.193 . . . . 10.0 110.49 179.52 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -159.66 49.28 0.31 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.165 -0.959 . . . . 10.0 110.316 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 31' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 117.853 -1.07 . . . . 10.0 110.323 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.655 ' HA ' HD12 ' A' ' 5' ' ' LEU . 31.0 t . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 120.772 0.32 . . . . 10.0 110.357 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.04 54.42 33.21 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.548 -1.421 . . . . 10.0 109.548 -179.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 m 54.49 39.18 30.88 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.813 -0.816 . . . . 10.0 110.883 -179.764 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.516 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -157.01 -157.13 0.66 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.376 -0.828 . . . . 10.0 110.203 179.786 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 1' ' ' SER . 0.3 OUTLIER 74.63 -43.1 0.51 Allowed 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.991 -0.443 . . . . 10.0 111.123 -179.743 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -64.23 -14.31 54.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.998 -1.064 . . . . 10.0 110.399 178.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -98.12 -39.33 8.95 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.384 -0.823 . . . . 10.0 109.871 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 5' ' ' LEU . 12.8 tt -61.28 -27.32 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 10.0 110.672 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.488 ' CE3' ' HA ' ' A' ' 6' ' ' ARG . 46.3 m0 -64.75 -46.09 83.65 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.195 -0.94 . . . . 10.0 109.529 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.86 -45.37 78.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.711 -0.618 . . . . 10.0 109.743 179.086 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -61.31 -50.03 74.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.763 -0.585 . . . . 10.0 109.614 179.175 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 12' ' ' ILE . 28.9 mm -78.62 2.1 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.297 -0.877 . . . . 10.0 111.441 -179.479 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.1 t -110.25 -46.13 3.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.86 -1.15 . . . . 10.0 109.882 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -44.74 21.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.519 -0.738 . . . . 10.0 110.502 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.39 -28.94 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.257 -0.902 . . . . 10.0 110.082 179.66 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -21.77 30.72 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.309 -0.869 . . . . 10.0 110.452 179.524 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -64.16 -61.93 1.94 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.169 -0.957 . . . . 10.0 110.128 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -56.85 -27.28 60.05 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.343 -0.848 . . . . 10.0 110.256 179.508 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -79.89 -34.54 39.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.302 -0.874 . . . . 10.0 110.432 179.312 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -85.28 -42.03 15.01 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.246 -0.909 . . . . 10.0 110.458 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.7 m -55.16 -46.54 75.74 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.476 -0.765 . . . . 10.0 109.963 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.817 ' HE3' HD22 ' A' ' 23' ' ' LEU . 75.6 t90 -65.18 -43.53 91.4 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.507 -0.746 . . . . 10.0 109.68 179.179 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -60.54 -41.46 94.53 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.511 -0.743 . . . . 10.0 110.099 179.547 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -60.15 -41.25 92.34 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.504 -0.747 . . . . 10.0 110.19 179.621 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.8 -35.37 80.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.746 . . . . 10.0 110.255 179.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -79.86 -27.11 40.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.386 -0.822 . . . . 10.0 110.771 179.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -40.23 80.82 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.374 -0.829 . . . . 10.0 110.654 -179.748 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 37.8 mtm 53.32 77.38 0.45 Allowed Pre-proline 0 N--CA 1.501 2.1 0 O-C-N 121.698 -0.626 . . . . 10.0 110.643 -179.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -74.65 64.63 5.73 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 O-C-N 123.925 1.487 . . . . 10.0 110.98 -179.804 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -159.75 35.38 0.19 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.249 -0.907 . . . . 10.0 110.45 179.819 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 118.147 -0.93 . . . . 10.0 110.336 -179.783 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.242 0.544 . . . . 10.0 110.137 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.0 84.28 0.42 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.602 -1.399 . . . . 10.0 109.602 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -133.56 -69.77 0.54 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.434 -1.039 . . . . 10.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.553 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -163.6 -146.48 0.1 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.235 -0.915 . . . . 10.0 110.445 179.967 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.695 ' HA ' HG22 ' A' ' 8' ' ' ILE . 1.3 pt? -60.01 -26.84 66.4 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.268 -0.895 . . . . 10.0 110.923 -179.641 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' N ' ' HG ' ' A' ' 5' ' ' LEU . 1.1 mtt85 -76.05 -2.38 30.43 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.338 -0.851 . . . . 10.0 109.986 178.793 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.56 -39.69 2.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.481 -0.762 . . . . 10.0 109.332 179.332 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.695 HG22 ' HA ' ' A' ' 5' ' ' LEU . 10.0 tt -65.06 -33.28 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.59 -0.694 . . . . 10.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 -63.54 -24.29 67.75 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.31 -34.13 77.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.311 178.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -68.75 -48.56 63.44 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.708 -0.62 . . . . 10.0 110.062 179.469 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.407 HG13 ' CD2' ' A' ' 11' ' ' TRP . 3.2 mt -72.81 -48.26 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.333 -0.854 . . . . 10.0 110.394 -179.486 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 t -58.19 -42.31 85.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.622 -0.674 . . . . 10.0 110.484 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.73 -51.35 68.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.637 -0.665 . . . . 10.0 109.913 179.628 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.6 t -64.88 -32.29 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.475 -0.766 . . . . 10.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -37.67 86.94 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.505 -0.747 . . . . 10.0 110.424 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -60.55 -45.39 94.07 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.451 -0.78 . . . . 10.0 109.74 179.542 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.45 -44.15 97.62 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.543 -0.723 . . . . 10.0 109.116 178.781 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -66.67 -34.1 77.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.781 -0.574 . . . . 10.0 110.404 179.388 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -43.98 92.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.389 -0.819 . . . . 10.0 110.033 179.823 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -68.07 -41.83 81.35 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.461 -0.774 . . . . 10.0 109.653 179.357 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.875 ' HE3' HD22 ' A' ' 23' ' ' LEU . 66.1 t90 -64.4 -44.07 92.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.566 -0.709 . . . . 10.0 110.057 179.506 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.875 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -63.26 -42.5 99.16 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.453 -0.779 . . . . 10.0 110.2 179.807 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -60.84 -41.37 95.66 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.434 -0.791 . . . . 10.0 110.535 179.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.87 -23.55 66.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.446 -0.784 . . . . 10.0 110.824 179.766 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HD2' ' CH2' ' A' ' 22' ' ' TRP . 4.0 mttp -105.75 -18.14 14.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.323 -0.861 . . . . 10.0 110.853 179.807 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -73.3 -41.62 63.36 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.229 -0.92 . . . . 10.0 110.617 -179.931 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.45 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -59.08 -54.2 58.83 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.398 -0.814 . . . . 10.0 110.608 179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' C ' ' HG2' ' A' ' 30' ' ' GLN . 49.8 Cg_endo -76.04 -172.52 1.37 Allowed 'Trans proline' 0 N--CA 1.488 1.19 0 O-C-N 123.572 1.301 . . . . 10.0 110.433 179.609 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' HG2' ' C ' ' A' ' 29' ' ' PRO . 3.4 pt20 31.02 61.38 0.23 Allowed 'General case' 0 N--CA 1.51 2.541 0 CA-C-O 121.294 0.568 . . . . 10.0 111.843 179.734 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 117.851 -1.071 . . . . 10.0 110.457 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.016 0.436 . . . . 10.0 110.409 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.45 -150.35 40.03 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.824 -1.31 . . . . 10.0 109.824 179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -127.86 -62.86 1.05 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.469 -1.018 . . . . 10.0 110.439 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -156.59 -169.05 2.88 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.275 -0.891 . . . . 10.0 110.54 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.693 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -72.63 67.74 0.79 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.36 0.6 . . . . 10.0 110.564 179.759 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -73.46 -37.36 65.83 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.388 -0.82 . . . . 10.0 109.62 179.102 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -74.36 -20.15 60.19 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.674 -0.641 . . . . 10.0 110.449 179.263 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.693 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -52.44 -35.71 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.405 -0.809 . . . . 10.0 110.539 179.928 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -79.55 -40.39 29.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 10.0 109.196 179.308 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.88 -41.77 97.65 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.594 -0.691 . . . . 10.0 109.864 179.623 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.43 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -62.71 -36.79 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.558 -0.714 . . . . 10.0 109.675 179.395 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.628 ' HA ' HG12 ' A' ' 15' ' ' VAL . 4.2 mm -75.46 -33.48 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.249 -0.907 . . . . 10.0 109.953 179.014 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.84 -19.95 66.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 10.0 110.674 179.597 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -99.6 -14.73 18.86 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.37 -0.831 . . . . 10.0 110.96 179.682 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 12' ' ' ILE . 2.6 p -105.06 -0.82 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.102 -0.999 . . . . 10.0 111.34 -179.758 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -107.92 -37.11 6.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.942 -1.099 . . . . 10.0 111.231 -179.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -57.14 -51.72 68.17 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.292 -0.88 . . . . 10.0 110.594 -179.508 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -57.6 -31.88 66.64 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.375 -0.828 . . . . 10.0 110.088 179.267 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -83.8 -12.19 55.99 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.516 -0.74 . . . . 10.0 110.873 179.508 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -109.68 3.62 21.16 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.112 -0.992 . . . . 10.0 110.76 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.7 m -99.16 -39.49 8.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.208 -0.932 . . . . 10.0 110.29 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.477 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 36.2 p-90 -64.22 -26.04 68.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.227 -0.921 . . . . 10.0 110.757 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.185 -0.947 . . . . 10.0 109.649 178.826 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -39.0 36.69 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.678 -0.639 . . . . 10.0 109.76 179.339 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.87 92.52 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.418 -0.801 . . . . 10.0 110.163 179.555 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -20.52 29.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.439 -0.788 . . . . 10.0 110.375 179.501 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.12 80.97 0.2 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.558 -0.713 . . . . 10.0 110.285 -179.675 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 29.9 ttm -99.52 127.6 33.81 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.407 -0.808 . . . . 10.0 110.078 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.23 -174.81 1.71 Allowed 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.935 1.492 . . . . 10.0 110.582 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.91 108.08 2.89 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.319 -0.863 . . . . 10.0 109.969 179.761 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 117.906 -1.045 . . . . 10.0 110.513 -179.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 121.107 0.48 . . . . 10.0 110.471 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.4 111.08 3.23 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.431 -1.467 . . . . 10.0 109.431 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 p -132.12 -71.41 0.55 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.476 -1.014 . . . . 10.0 110.771 -179.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -145.14 -149.86 0.3 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.323 -0.861 . . . . 10.0 110.151 -179.701 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.416 HD12 ' HB3' ' A' ' 4' ' ' TRP . 2.1 mp 57.32 32.69 22.16 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.548 -0.72 . . . . 10.0 111.257 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -98.06 -40.3 8.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.261 -0.899 . . . . 10.0 109.709 179.166 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.67 -19.86 17.99 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.618 -0.676 . . . . 10.0 110.483 179.64 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.429 ' O ' HD12 ' A' ' 12' ' ' ILE . 8.2 tt -59.53 -34.04 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.155 -0.966 . . . . 10.0 110.347 179.779 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.6 m0 -67.03 -37.82 84.82 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.39 -0.819 . . . . 10.0 109.193 179.104 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -57.45 -35.97 70.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.701 -0.624 . . . . 10.0 109.596 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -62.3 -50.19 72.66 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.603 -0.686 . . . . 10.0 109.302 179.115 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 8' ' ' ILE . 3.5 mt -71.07 -32.0 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.307 -0.871 . . . . 10.0 109.659 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.0 t -55.68 -42.77 75.64 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.493 -0.754 . . . . 10.0 110.17 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.2 -43.9 60.62 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.4 -0.813 . . . . 10.0 109.858 179.366 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.76 -34.39 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.572 -0.705 . . . . 10.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.41 -35.48 46.97 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 10.0 110.58 -179.815 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.04 -51.12 65.04 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.214 -0.929 . . . . 10.0 110.555 -179.848 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.21 -40.09 94.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.403 -0.811 . . . . 10.0 109.011 178.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HD1' HD23 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -66.92 -32.92 74.49 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.655 -0.653 . . . . 10.0 109.897 178.878 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -65.63 -43.27 90.01 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.482 -0.761 . . . . 10.0 109.47 179.35 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.8 m -59.75 -42.14 92.54 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 178.62 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.752 ' HE3' HD22 ' A' ' 23' ' ' LEU . 73.7 t90 -65.96 -43.05 89.06 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 10.0 109.507 178.726 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -61.89 -40.92 97.11 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.51 -0.744 . . . . 10.0 110.095 179.533 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.83 85.34 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.605 -0.684 . . . . 10.0 110.099 179.542 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.85 96.04 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.695 . . . . 10.0 109.561 179.225 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -71.18 -36.79 72.09 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 10.0 109.664 178.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.76 -145.03 0.1 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.562 -0.711 . . . . 10.0 109.694 179.488 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.586 ' O ' HD23 ' A' ' 31' ' ' LEU . 4.7 ttt 60.7 99.03 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.466 -0.771 . . . . 10.0 110.69 -179.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -75.86 53.06 3.57 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 O-C-N 123.634 1.334 . . . . 10.0 110.712 179.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.38 46.47 0.13 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.25 -0.906 . . . . 10.0 110.063 -179.896 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 28' ' ' MET . 1.8 pp . . . . . 0 N--CA 1.496 1.871 0 O-C-N 121.26 -0.9 . . . . 10.0 110.931 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.5 m . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.07 0.462 . . . . 10.0 110.431 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.83 -141.09 24.94 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.712 -1.355 . . . . 10.0 109.712 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 m -123.52 -61.2 1.42 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.5 -1.0 . . . . 10.0 110.424 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.73 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -156.29 -174.56 5.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.315 -0.866 . . . . 10.0 110.417 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.73 HD12 ' HB3' ' A' ' 4' ' ' TRP . 1.8 mp 58.11 25.59 12.62 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.666 -0.646 . . . . 10.0 111.181 -179.82 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -44.74 61.57 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.12 -0.987 . . . . 10.0 110.352 179.852 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' A' ' 10' ' ' ASP . 8.1 t70 -94.74 -25.93 16.48 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.465 -0.772 . . . . 10.0 110.654 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.535 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -57.46 -37.46 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.992 -1.068 . . . . 10.0 110.167 179.902 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -82.08 -34.2 29.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.028 -1.045 . . . . 10.0 109.131 179.002 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.436 ' HB3' ' HA ' ' A' ' 7' ' ' ASP . 13.8 t70 -68.38 -46.65 69.48 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.598 -0.689 . . . . 10.0 109.735 179.091 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -57.47 -37.85 73.56 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.627 -0.671 . . . . 10.0 109.424 179.341 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.4 mm -68.21 -37.64 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.458 -0.776 . . . . 10.0 109.612 179.049 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.15 -39.55 94.27 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.444 -0.785 . . . . 10.0 110.244 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.3 -49.69 66.19 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.434 -0.791 . . . . 10.0 110.433 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -70.73 -28.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.415 -0.803 . . . . 10.0 110.972 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.43 -33.33 32.19 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.207 -0.933 . . . . 10.0 110.49 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 m -58.46 -46.85 85.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.387 -0.82 . . . . 10.0 110.555 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.36 -44.27 97.45 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.436 -0.79 . . . . 10.0 109.175 178.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.71 -29.09 66.42 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 10.0 110.268 179.042 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -47.39 65.22 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.394 -0.816 . . . . 10.0 110.048 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.9 m -60.56 -41.8 95.32 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.47 -0.768 . . . . 10.0 109.832 179.466 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.529 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 65.7 t90 -64.43 -45.4 87.71 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.569 -0.707 . . . . 10.0 109.896 179.355 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -69.82 -45.0 68.82 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.442 -0.786 . . . . 10.0 110.355 179.872 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -38.46 88.12 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.337 -0.852 . . . . 10.0 110.195 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.19 86.56 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.498 -0.751 . . . . 10.0 109.884 179.234 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -79.49 -32.44 42.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.517 -0.739 . . . . 10.0 110.294 179.532 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 27' ' ' LEU . 2.1 mm? -75.73 -46.87 28.62 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 10.0 110.351 -179.831 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.6 mtp 65.1 163.77 0.12 Allowed Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.984 -0.448 . . . . 10.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -78.69 -177.12 3.66 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 O-C-N 123.702 1.37 . . . . 10.0 110.583 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -72.15 93.29 1.42 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.384 -0.823 . . . . 10.0 110.312 179.795 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 118.19 -0.909 . . . . 10.0 110.293 -179.652 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 120.876 0.369 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.66 88.24 1.93 Allowed Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.515 -1.434 . . . . 10.0 109.515 -179.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 t -85.05 -40.59 16.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.545 -0.973 . . . . 10.0 110.397 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.438 ' C ' HD12 ' A' ' 5' ' ' LEU . 5.9 p-90 -137.64 123.59 20.18 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.411 -0.805 . . . . 10.0 110.269 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 4' ' ' TRP . 6.5 mp -115.34 -37.04 4.14 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.463 -0.773 . . . . 10.0 110.597 -179.786 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -40.43 66.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.364 -0.835 . . . . 10.0 110.17 179.451 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.56 -28.46 69.66 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.474 -0.766 . . . . 10.0 110.552 179.412 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.06 -31.89 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.35 -0.844 . . . . 10.0 109.48 179.373 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.417 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.21 -41.06 87.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 10.0 110.535 -179.52 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.95 -35.94 82.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.471 -0.768 . . . . 10.0 110.237 179.597 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CD1' HG12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.71 -33.19 69.92 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.443 -0.786 . . . . 10.0 109.811 179.464 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.531 HG12 ' CD1' ' A' ' 11' ' ' TRP . 3.6 mm -94.07 -31.34 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.216 -0.928 . . . . 10.0 110.299 179.212 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -74.48 -45.59 45.13 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.316 -0.865 . . . . 10.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.11 -51.45 69.97 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.518 -0.739 . . . . 10.0 110.508 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -61.7 -32.22 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.522 -0.736 . . . . 10.0 110.735 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -37.62 83.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.327 -0.858 . . . . 10.0 109.747 179.298 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -40.92 95.32 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.505 -0.747 . . . . 10.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.12 -37.12 79.09 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.519 -0.738 . . . . 10.0 109.398 178.719 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -80.83 -10.15 59.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.633 -0.667 . . . . 10.0 111.083 179.52 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -109.57 6.16 23.73 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.043 -1.036 . . . . 10.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -101.97 -40.53 6.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.054 -1.029 . . . . 10.0 110.207 179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.43 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 40.2 p-90 -64.05 -26.54 68.61 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 10.0 111.161 -179.787 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -70.79 -39.11 73.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.114 -0.991 . . . . 10.0 110.075 179.211 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.89 -28.93 62.48 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.564 -0.71 . . . . 10.0 110.527 179.529 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.4 -33.2 12.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 10.0 110.347 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -28.55 57.52 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.344 -0.847 . . . . 10.0 110.743 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 23' ' ' LEU . 8.2 mp -87.26 -52.86 5.15 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.292 -0.88 . . . . 10.0 110.37 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.6 92.73 38.43 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.472 -0.767 . . . . 10.0 110.467 -179.839 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -75.74 -143.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 124.04 1.548 . . . . 10.0 109.318 179.222 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -72.61 -158.47 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.686 -1.259 . . . . 10.0 109.896 179.556 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 30' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.301 0 CA-C-O 117.626 -1.178 . . . . 10.0 110.632 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 120.952 0.406 . . . . 10.0 110.135 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -117.67 159.44 14.14 Favored Glycine 0 N--CA 1.496 2.693 0 N-CA-C 109.827 -1.309 . . . . 10.0 109.827 -179.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -110.19 10.26 23.81 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.358 -1.084 . . . . 10.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.475 ' CZ3' HD13 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -133.41 60.96 1.69 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.131 -0.981 . . . . 10.0 110.089 -179.978 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.534 HD13 HG21 ' A' ' 8' ' ' ILE . 2.8 mm? -84.79 -35.2 22.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.496 -0.753 . . . . 10.0 110.208 179.78 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -19.33 63.12 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.398 -0.814 . . . . 10.0 110.878 179.702 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.58 -33.7 9.81 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.353 -0.842 . . . . 10.0 110.461 -179.878 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.56 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 5.4 tp -65.77 -24.06 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.187 -0.946 . . . . 10.0 110.384 179.583 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -70.11 -39.67 75.37 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.985 -1.072 . . . . 10.0 109.364 179.065 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.33 -50.64 66.98 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.739 -0.601 . . . . 10.0 110.211 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -57.98 -35.16 70.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.422 -0.799 . . . . 10.0 109.957 179.718 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 12' ' ' ILE . 4.5 mm -69.27 -39.99 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.247 -0.908 . . . . 10.0 109.638 179.017 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.3 t -69.64 -32.25 70.82 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.53 -0.731 . . . . 10.0 109.898 179.28 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.34 -41.2 98.86 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.635 -0.665 . . . . 10.0 109.825 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.542 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 40.4 t -78.26 -31.12 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.419 -0.8 . . . . 10.0 109.642 179.319 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -68.68 -38.97 80.77 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.481 -0.762 . . . . 10.0 110.753 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -60.43 -38.91 85.6 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.384 -0.822 . . . . 10.0 110.463 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -63.53 -37.51 87.59 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.202 -0.936 . . . . 10.0 109.235 178.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.712 ' O ' HD12 ' A' ' 23' ' ' LEU . 27.2 t80 -68.36 -23.13 64.65 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.665 -0.647 . . . . 10.0 110.31 179.073 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -88.16 -24.96 23.19 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.033 -1.042 . . . . 10.0 110.125 179.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -60.51 -50.15 74.72 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.517 -0.74 . . . . 10.0 110.714 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.484 ' CH2' ' HG ' ' A' ' 23' ' ' LEU . 18.2 p-90 -68.92 -24.83 64.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.152 -0.967 . . . . 10.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' O ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -73.1 -38.35 66.39 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.167 -0.958 . . . . 10.0 109.708 178.845 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -68.96 -37.19 78.68 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.545 -0.722 . . . . 10.0 109.809 179.14 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.13 -37.11 86.38 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.553 -0.717 . . . . 10.0 110.213 179.508 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -80.07 -39.57 29.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.429 -0.794 . . . . 10.0 110.126 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.05 -38.79 86.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.609 -0.682 . . . . 10.0 110.057 179.648 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.3 ttt 56.05 75.01 0.62 Allowed Pre-proline 0 N--CA 1.5 2.035 0 O-C-N 121.805 -0.56 . . . . 10.0 110.501 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.77 -170.76 0.64 Allowed 'Trans proline' 0 C--N 1.312 -1.351 0 O-C-N 124.002 1.528 . . . . 10.0 110.63 179.864 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.33 120.96 11.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.283 -0.886 . . . . 10.0 110.045 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 117.819 -1.086 . . . . 10.0 110.783 -179.631 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.007 0.432 . . . . 10.0 110.276 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.73 50.14 60.21 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 109.629 -1.388 . . . . 10.0 109.629 -179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 m -126.24 59.78 1.33 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.515 -0.991 . . . . 10.0 109.884 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -123.11 -164.67 1.22 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.469 -0.769 . . . . 10.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.64 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -75.42 59.74 1.1 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.715 -0.615 . . . . 10.0 110.889 -179.884 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -34.38 76.08 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.113 -0.992 . . . . 10.0 109.755 179.032 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.56 -20.2 61.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.732 . . . . 10.0 109.908 178.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.64 ' HB ' ' HB3' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -50.09 -35.86 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 10.0 110.475 179.651 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -77.87 -41.71 35.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.167 -0.958 . . . . 10.0 109.457 179.288 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.71 -47.51 75.14 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.688 -0.632 . . . . 10.0 110.127 179.652 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.54 ' CZ3' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -54.24 -37.17 64.34 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.584 -0.697 . . . . 10.0 109.871 179.753 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 12' ' ' ILE . 3.5 mm -75.56 -34.32 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.318 -0.864 . . . . 10.0 110.023 178.925 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 t -59.25 -44.58 92.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.573 -0.704 . . . . 10.0 110.639 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -46.34 90.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.4 -0.813 . . . . 10.0 109.666 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.54 HG21 ' CZ3' ' A' ' 11' ' ' TRP . 84.6 t -68.88 -31.05 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.577 -0.702 . . . . 10.0 109.998 179.311 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -37.48 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -0.844 . . . . 10.0 110.112 179.679 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -42.43 98.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.459 -0.776 . . . . 10.0 109.826 179.321 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.1 -40.03 92.18 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.547 -0.721 . . . . 10.0 109.184 178.747 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -67.43 -34.73 77.82 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.622 -0.674 . . . . 10.0 109.958 179.015 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -63.99 -42.89 97.06 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.378 -0.826 . . . . 10.0 109.391 179.042 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 m -59.17 -42.4 90.7 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.482 -0.761 . . . . 10.0 109.344 178.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.583 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 32.4 t90 -65.84 -43.6 88.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.607 -0.683 . . . . 10.0 109.443 178.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.583 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.64 -32.62 74.29 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.601 -0.687 . . . . 10.0 110.381 179.553 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' HD12 ' A' ' 27' ' ' LEU . 16.5 tttm -67.49 -31.66 71.94 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.428 -0.795 . . . . 10.0 110.244 179.599 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.82 78.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.349 -0.844 . . . . 10.0 109.793 179.471 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -84.02 -23.93 30.73 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.593 -0.692 . . . . 10.0 109.973 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER 64.99 100.85 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.361 0.6 . . . . 10.0 110.327 -179.548 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.505 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 6.5 ttp -53.48 -49.45 88.42 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.542 -0.724 . . . . 10.0 110.821 179.926 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 50.0 Cg_endo -75.37 59.47 5.44 Favored 'Trans proline' 0 N--CA 1.489 1.215 0 O-C-N 123.552 1.29 . . . . 10.0 110.154 179.49 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 31' ' ' LEU . 7.3 tt0 -164.61 141.49 6.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.506 -0.746 . . . . 10.0 109.657 -179.62 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' CB ' ' O ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.504 2.273 0 CA-C-O 117.694 -1.146 . . . . 10.0 110.727 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 120.9 0.381 . . . . 10.0 110.438 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.73 -95.17 0.48 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.683 -1.367 . . . . 10.0 109.683 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -162.97 -54.68 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.412 -1.052 . . . . 10.0 111.439 -179.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.63 -145.58 0.18 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.148 -0.97 . . . . 10.0 110.955 -179.126 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -50.28 -24.6 3.02 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.324 -0.86 . . . . 10.0 111.745 -179.66 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -43.11 81.01 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.238 -0.914 . . . . 10.0 110.61 179.921 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.82 -20.11 13.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.356 -0.84 . . . . 10.0 110.97 179.84 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -64.73 -32.73 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.072 -1.017 . . . . 10.0 110.128 179.912 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -75.04 -32.06 61.46 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.962 -1.086 . . . . 10.0 109.384 178.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -68.91 -47.18 66.45 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.559 -0.713 . . . . 10.0 109.657 179.053 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.49 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -58.06 -36.36 72.67 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.505 -0.747 . . . . 10.0 109.399 179.365 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.482 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.2 mm -68.45 -37.94 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.347 -0.846 . . . . 10.0 109.683 178.923 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.34 -33.17 75.35 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.484 -0.76 . . . . 10.0 110.345 179.541 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -70.57 -49.06 51.91 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.421 -0.799 . . . . 10.0 110.28 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 12' ' ' ILE . 7.4 p -68.87 -29.28 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.48 -0.762 . . . . 10.0 111.101 -179.851 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -78.22 -38.22 43.56 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.978 -1.076 . . . . 10.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -65.08 -44.33 89.27 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.252 -0.905 . . . . 10.0 110.252 179.787 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -36.83 80.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.399 -0.813 . . . . 10.0 109.39 179.007 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.06 -37.86 66.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.691 -0.631 . . . . 10.0 109.848 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -60.36 -45.94 91.72 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.595 -0.691 . . . . 10.0 110.024 179.52 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -62.39 -41.55 98.74 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 10.0 109.755 179.222 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.856 ' HE3' HD22 ' A' ' 23' ' ' LEU . 69.9 t90 -60.43 -41.43 93.97 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.579 -0.7 . . . . 10.0 109.877 179.295 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.856 HD22 ' HE3' ' A' ' 22' ' ' TRP . 0.6 OUTLIER -61.96 -47.46 84.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.595 -0.691 . . . . 10.0 110.027 179.613 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -46.93 80.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.607 -0.683 . . . . 10.0 109.849 179.531 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.3 72.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.61 -0.681 . . . . 10.0 110.418 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -71.8 -34.93 69.78 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.397 -0.815 . . . . 10.0 110.329 179.788 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -63.23 1.24 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.551 -0.718 . . . . 10.0 110.155 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 tpt 57.19 88.38 0.12 Allowed Pre-proline 0 N--CA 1.502 2.126 0 O-C-N 121.773 -0.579 . . . . 10.0 110.838 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.0 -172.16 0.93 Allowed 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.69 1.363 . . . . 10.0 110.584 179.783 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -62.3 120.8 11.69 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.39 -0.819 . . . . 10.0 110.147 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.915 -1.04 . . . . 10.0 110.35 -179.761 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.496 1.841 0 CA-C-O 120.943 0.401 . . . . 10.0 110.365 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.97 -148.35 24.05 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.648 -1.381 . . . . 10.0 109.648 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 p -104.55 -59.64 1.71 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.436 -1.038 . . . . 10.0 110.264 179.902 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.59 ' CZ3' HD13 ' A' ' 8' ' ' ILE . 1.7 m95 65.04 151.54 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.212 0 CA-C-O 121.302 0.573 . . . . 10.0 111.075 -179.863 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.613 ' HA ' HG22 ' A' ' 8' ' ' ILE . 28.1 mt 67.66 -60.28 0.39 Allowed 'General case' 0 N--CA 1.508 2.457 0 O-C-N 121.865 -0.522 . . . . 10.0 111.509 179.653 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -60.6 -22.59 63.91 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.064 -1.022 . . . . 10.0 110.605 179.775 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -107.2 -11.54 15.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.238 -0.914 . . . . 10.0 110.243 178.925 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.613 HG22 ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -99.19 -25.0 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 10.0 110.261 179.63 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.404 ' CD1' ' N ' ' A' ' 10' ' ' ASP . 0.8 OUTLIER -75.37 -20.66 58.84 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.124 -0.985 . . . . 10.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 9' ' ' TRP . 1.1 t70 -83.68 -43.71 15.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.347 -0.846 . . . . 10.0 109.155 179.261 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.51 ' HD1' ' HA ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -60.56 -32.67 71.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.683 -0.636 . . . . 10.0 109.539 179.184 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.3 mm -75.8 -44.05 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.312 -0.868 . . . . 10.0 109.806 178.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.94 -38.06 84.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.588 -0.695 . . . . 10.0 110.731 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.33 -55.26 33.7 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.377 -0.827 . . . . 10.0 110.177 179.746 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.0 t -65.85 -32.83 59.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.484 -0.76 . . . . 10.0 110.029 179.54 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -64.61 -41.25 96.33 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.487 -0.758 . . . . 10.0 110.236 179.696 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.7 t -63.05 -42.34 99.69 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.306 -0.871 . . . . 10.0 109.551 179.362 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -41.93 88.11 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.036 -0.727 . . . . 10.0 109.036 178.705 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -70.81 -38.04 73.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.659 -0.651 . . . . 10.0 109.442 178.622 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -43.59 95.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.668 -0.645 . . . . 10.0 109.888 179.362 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.1 m -62.41 -45.51 92.79 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.527 -0.733 . . . . 10.0 109.506 179.146 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.534 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 20.3 t90 -64.42 -43.38 94.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.584 -0.697 . . . . 10.0 109.67 179.177 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.534 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -58.82 -39.31 80.83 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.522 -0.736 . . . . 10.0 110.351 179.805 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -42.29 91.3 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.104 179.663 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.4 -36.04 82.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.511 -0.743 . . . . 10.0 110.315 179.526 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -74.43 -36.54 63.41 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.442 -0.786 . . . . 10.0 110.524 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -35.77 77.25 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.506 -0.747 . . . . 10.0 110.633 -179.931 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.29 110.95 47.99 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.448 -0.783 . . . . 10.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.56 178.26 6.94 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.661 1.348 . . . . 10.0 110.819 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.75 71.11 3.3 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.383 -0.823 . . . . 10.0 110.449 179.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 117.955 -1.021 . . . . 10.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.025 0.441 . . . . 10.0 110.448 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.91 111.34 3.85 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 109.522 -1.431 . . . . 10.0 109.522 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 7' ' ' ASP . 27.3 p -102.16 13.69 34.01 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.614 -0.933 . . . . 10.0 111.009 179.784 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -137.13 0.11 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.268 -0.895 . . . . 10.0 109.801 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.532 ' O ' HG22 ' A' ' 8' ' ' ILE . 1.4 pp -53.85 -23.34 12.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 120.996 -1.065 . . . . 10.0 111.313 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -28.6 65.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.138 -0.976 . . . . 10.0 110.321 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.441 ' CB ' ' HA ' ' A' ' 3' ' ' SER . 28.3 t70 -101.73 -19.85 15.2 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.488 -0.758 . . . . 10.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 5' ' ' LEU . 12.0 tt -62.07 -27.41 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.063 -1.023 . . . . 10.0 111.222 -179.587 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -34.09 64.02 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.268 -0.895 . . . . 10.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -54.32 -36.86 64.21 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.52 -0.737 . . . . 10.0 110.248 179.513 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' C ' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -61.28 -47.75 84.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.575 -0.703 . . . . 10.0 109.769 179.324 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.43 -32.4 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.259 -0.901 . . . . 10.0 110.16 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.8 t -62.15 -39.96 94.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.34 -0.85 . . . . 10.0 110.285 179.913 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.24 -51.66 59.43 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.536 -0.727 . . . . 10.0 110.467 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.16 -28.26 43.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.296 -0.878 . . . . 10.0 110.443 179.888 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.35 -44.57 71.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.201 -0.937 . . . . 10.0 110.13 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 p -64.87 -35.8 82.31 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 10.0 109.51 179.287 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.01 -38.56 91.69 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.066 -0.716 . . . . 10.0 109.066 178.589 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -65.18 -35.17 80.24 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.73 -0.606 . . . . 10.0 109.635 178.87 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.2 -48.55 67.54 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.479 -0.763 . . . . 10.0 109.394 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -66.02 -40.01 90.7 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.543 -0.723 . . . . 10.0 109.767 179.099 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.543 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 26.1 t90 -59.38 -41.24 88.89 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.624 -0.673 . . . . 10.0 109.899 179.502 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HG ' ' CZ3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -65.95 -45.2 82.67 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.533 -0.73 . . . . 10.0 110.345 179.782 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -70.29 -36.94 74.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.455 -0.778 . . . . 10.0 110.246 179.812 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.492 -0.755 . . . . 10.0 110.257 179.534 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -16.44 24.44 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.252 -0.905 . . . . 10.0 110.556 179.409 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 28' ' ' MET . 0.3 OUTLIER 56.53 50.02 13.7 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.489 -0.757 . . . . 10.0 110.167 -179.674 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 26.46 74.2 0.34 Allowed Pre-proline 0 N--CA 1.512 2.631 0 N-CA-C 112.185 0.439 . . . . 10.0 112.185 -179.913 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -77.65 61.58 7.53 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 O-C-N 123.672 1.354 . . . . 10.0 111.093 -179.848 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -157.65 36.24 0.27 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.214 -0.929 . . . . 10.0 110.699 179.748 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.942 -1.027 . . . . 10.0 110.334 179.943 . . . . . . . . 1 1 . 1 stop_ save_