data_1vm4_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 1vm4 _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 ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 120.745 0.307 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -23.61 39.18 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.046 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.77 -40.62 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.8 mp -70.84 -28.13 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.678 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.2 t -76.1 -38.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.201 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -71.19 -36.97 72.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.434 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -68.56 -20.87 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.074 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -83.58 -58.81 2.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.022 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.758 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -57.52 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.796 0.808 . . . . 0.0 110.138 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.758 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 39.0 m -49.25 -34.44 15.15 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.761 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.47 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 3.1 tt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.735 0.302 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -23.03 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.944 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.7 mp -70.96 -32.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.941 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.63 -42.8 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.294 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -68.93 -32.23 71.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.162 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -21.2 62.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.8 tp -83.52 -58.68 2.72 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.75 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -49.16 -56.48 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 121.826 0.822 . . . . 0.0 109.975 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.75 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.9 t -50.97 -37.15 42.97 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.107 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.761 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.46 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 4.7 tt . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 120.767 0.318 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -24.7 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.047 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.93 -39.51 74.61 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.8 mp -71.11 -33.3 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.73 -39.28 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.328 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -70.12 -41.04 74.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -65.99 -21.34 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 110.03 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -59.83 2.34 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.157 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.749 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.73 -56.24 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-O 121.804 0.811 . . . . 0.0 110.042 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.749 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 23.6 t -50.83 -36.47 37.65 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.134 -1.394 . . . . 0.0 110.977 -178.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.587 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.777 0.322 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.45 -25.38 24.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.301 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -55.52 -41.43 73.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.8 mp -70.86 -30.89 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.705 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.14 -36.53 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.996 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.4 -30.38 60.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -75.58 -21.12 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.056 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.58 -54.98 4.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.979 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.738 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -55.89 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 CA-C-O 121.896 0.855 . . . . 0.0 109.917 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.738 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.0 t -48.28 -43.75 33.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.736 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.694 0.283 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -27.2 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.115 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -40.31 64.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.546 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.7 mp -74.38 -31.31 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.949 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -38.36 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.232 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -66.27 -31.92 73.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.363 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -76.47 -25.82 54.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 tp -83.52 -51.8 7.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.745 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.27 -56.68 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 CA-C-O 121.725 0.774 . . . . 0.0 110.17 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.745 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 22.2 t -51.78 -37.99 53.68 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.954 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.705 -179.731 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt -82.16 -51.15 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -23.61 39.18 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.046 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.77 -40.62 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.8 mp -70.84 -28.13 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.678 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.2 t -76.1 -38.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.201 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -71.19 -36.97 72.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.434 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -68.56 -20.87 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.074 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -83.58 -58.81 2.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.022 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.758 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -57.52 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.796 0.808 . . . . 0.0 110.138 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.758 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 39.0 m -49.25 -34.44 15.15 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.761 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.17 -59.02 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 13' ' ' PHE . 2.6 p90 -160.71 -0.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.47 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 3.1 tt -79.73 -41.98 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.302 . . . . 0.0 110.459 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -23.03 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.944 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.7 mp -70.96 -32.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.941 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.63 -42.8 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.294 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -68.93 -32.23 71.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.162 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -21.2 62.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.8 tp -83.52 -58.68 2.72 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.75 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -49.16 -56.48 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 121.826 0.822 . . . . 0.0 109.975 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.75 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.9 t -50.97 -37.15 42.97 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.107 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -69.86 -59.51 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -157.16 -9.33 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.305 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.46 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 4.7 tt -80.94 -49.39 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 0.0 110.501 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -24.7 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.047 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.93 -39.51 74.61 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.8 mp -71.11 -33.3 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.73 -39.28 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.328 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -70.12 -41.04 74.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -65.99 -21.34 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 110.03 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -59.83 2.34 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.157 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.749 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.73 -56.24 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-O 121.804 0.811 . . . . 0.0 110.042 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.749 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 23.6 t -50.83 -36.47 37.65 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.134 -1.394 . . . . 0.0 110.977 -178.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -70.81 -59.18 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.587 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -141.65 66.34 1.36 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.571 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.958 -1.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -78.11 -48.79 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.45 -25.38 24.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.301 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -55.52 -41.43 73.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.8 mp -70.86 -30.89 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.705 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.14 -36.53 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.996 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.4 -30.38 60.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -75.58 -21.12 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.056 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.58 -54.98 4.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.979 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.738 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -55.89 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 CA-C-O 121.896 0.855 . . . . 0.0 109.917 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.738 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.0 t -48.28 -43.75 33.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.736 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.91 -31.01 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 1.5 p90 -162.44 126.75 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.993 -1.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tt -77.49 -45.45 25.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.694 0.283 . . . . 0.0 110.54 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -27.2 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.115 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -40.31 64.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.546 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.7 mp -74.38 -31.31 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.949 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -38.36 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.232 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -66.27 -31.92 73.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.363 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -76.47 -25.82 54.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 tp -83.52 -51.8 7.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.745 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.27 -56.68 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 CA-C-O 121.725 0.774 . . . . 0.0 110.17 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.745 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 22.2 t -51.78 -37.99 53.68 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.954 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -63.8 -32.4 73.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.705 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CG ' ' N ' ' A' ' 14' ' ' NH2 . 1.5 p90 -160.01 -47.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.607 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.598 ' N ' ' CG ' ' A' ' 13' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.027 -1.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 120.745 0.307 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -23.61 39.18 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.046 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.77 -40.62 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -70.84 -28.13 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.678 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.2 t -76.1 -38.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.201 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -71.19 -36.97 72.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.434 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -68.56 -20.87 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.074 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -83.58 -58.81 2.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.022 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.758 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -57.52 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.796 0.808 . . . . 0.0 110.138 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.758 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 39.0 m -49.25 -34.44 15.15 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.761 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.709 HD23 ' C ' ' A' ' 2' ' ' LEU . 3.1 tt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.735 0.302 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.551 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -62.78 -23.03 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.944 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -70.96 -32.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.941 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.63 -42.8 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.294 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -68.93 -32.23 71.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.162 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -21.2 62.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.8 tp -83.52 -58.68 2.72 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.75 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -49.16 -56.48 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 121.826 0.822 . . . . 0.0 109.975 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.75 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.9 t -50.97 -37.15 42.97 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.107 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.761 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.723 HD23 ' C ' ' A' ' 2' ' ' LEU . 4.7 tt . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 120.767 0.318 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.602 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.6 -24.7 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.047 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.93 -39.51 74.61 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -71.11 -33.3 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.73 -39.28 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.328 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -70.12 -41.04 74.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -65.99 -21.34 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 110.03 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -59.83 2.34 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.157 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.749 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.73 -56.24 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-O 121.804 0.811 . . . . 0.0 110.042 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.749 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 23.6 t -50.83 -36.47 37.65 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.134 -1.394 . . . . 0.0 110.977 -178.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.587 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.777 0.322 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.45 -25.38 24.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.301 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -55.52 -41.43 73.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -70.86 -30.89 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.705 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.14 -36.53 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.996 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.4 -30.38 60.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -75.58 -21.12 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.056 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.58 -54.98 4.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.979 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.738 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -55.89 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 CA-C-O 121.896 0.855 . . . . 0.0 109.917 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.738 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.0 t -48.28 -43.75 33.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.736 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.694 0.283 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -27.2 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.115 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -40.31 64.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -74.38 -31.31 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.949 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -38.36 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.232 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -66.27 -31.92 73.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.363 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -76.47 -25.82 54.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 tp -83.52 -51.8 7.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.745 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.27 -56.68 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 CA-C-O 121.725 0.774 . . . . 0.0 110.17 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.745 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 22.2 t -51.78 -37.99 53.68 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.954 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.705 -179.731 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt -82.16 -51.15 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -23.61 39.18 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.046 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.77 -40.62 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -70.84 -28.13 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.678 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.2 t -76.1 -38.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.201 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -71.19 -36.97 72.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.434 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -68.56 -20.87 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.074 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -83.58 -58.81 2.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.022 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.758 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -57.52 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.796 0.808 . . . . 0.0 110.138 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.758 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 39.0 m -49.25 -34.44 15.15 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.761 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.17 -59.02 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 13' ' ' PHE . 2.6 p90 -160.71 -0.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.709 HD23 ' C ' ' A' ' 2' ' ' LEU . 3.1 tt -79.73 -41.98 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.302 . . . . 0.0 110.459 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.551 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -62.78 -23.03 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.944 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -70.96 -32.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.941 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.63 -42.8 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.294 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -68.93 -32.23 71.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.162 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -21.2 62.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.8 tp -83.52 -58.68 2.72 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.75 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -49.16 -56.48 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 121.826 0.822 . . . . 0.0 109.975 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.75 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.9 t -50.97 -37.15 42.97 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.107 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -69.86 -59.51 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -157.16 -9.33 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.305 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.723 HD23 ' C ' ' A' ' 2' ' ' LEU . 4.7 tt -80.94 -49.39 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 0.0 110.501 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.602 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.6 -24.7 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.047 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.93 -39.51 74.61 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -71.11 -33.3 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.73 -39.28 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.328 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -70.12 -41.04 74.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -65.99 -21.34 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 110.03 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -59.83 2.34 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.157 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.749 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.73 -56.24 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-O 121.804 0.811 . . . . 0.0 110.042 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.749 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 23.6 t -50.83 -36.47 37.65 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.134 -1.394 . . . . 0.0 110.977 -178.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -70.81 -59.18 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.587 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -141.65 66.34 1.36 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.571 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.958 -1.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -78.11 -48.79 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.45 -25.38 24.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.301 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -55.52 -41.43 73.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -70.86 -30.89 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.705 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.14 -36.53 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.996 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.4 -30.38 60.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -75.58 -21.12 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.056 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.58 -54.98 4.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.979 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.738 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -55.89 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 CA-C-O 121.896 0.855 . . . . 0.0 109.917 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.738 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.0 t -48.28 -43.75 33.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.736 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.91 -31.01 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 13' ' ' PHE . 1.5 p90 -162.44 126.75 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.993 -1.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tt -77.49 -45.45 25.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.694 0.283 . . . . 0.0 110.54 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -27.2 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.115 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -40.31 64.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -74.38 -31.31 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.949 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -38.36 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.232 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -66.27 -31.92 73.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.363 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -76.47 -25.82 54.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 tp -83.52 -51.8 7.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.745 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.27 -56.68 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 CA-C-O 121.725 0.774 . . . . 0.0 110.17 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.745 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 22.2 t -51.78 -37.99 53.68 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.954 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -63.8 -32.4 73.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.705 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CG ' ' N ' ' A' ' 14' ' ' NH2 . 1.5 p90 -160.01 -47.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.607 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.598 ' N ' ' CG ' ' A' ' 13' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.027 -1.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 120.745 0.307 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -23.61 39.18 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.046 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.77 -40.62 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -70.84 -28.13 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.678 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.2 t -76.1 -38.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.201 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -71.19 -36.97 72.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.434 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -68.56 -20.87 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.074 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -83.58 -58.81 2.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.022 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.758 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -57.52 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.796 0.808 . . . . 0.0 110.138 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.758 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 39.0 m -49.25 -34.44 15.15 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.761 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 2' ' ' LEU . 3.1 tt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.735 0.302 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.551 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -62.78 -23.03 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.944 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -70.96 -32.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.941 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.63 -42.8 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.294 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -68.93 -32.23 71.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.162 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -21.2 62.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.8 tp -83.52 -58.68 2.72 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.75 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -49.16 -56.48 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 121.826 0.822 . . . . 0.0 109.975 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.75 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.9 t -50.97 -37.15 42.97 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.107 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.761 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.723 ' C ' HD23 ' A' ' 2' ' ' LEU . 4.7 tt . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 120.767 0.318 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.602 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.6 -24.7 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.047 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.93 -39.51 74.61 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -71.11 -33.3 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.73 -39.28 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.328 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -70.12 -41.04 74.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -65.99 -21.34 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 110.03 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -59.83 2.34 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.157 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.749 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.73 -56.24 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-O 121.804 0.811 . . . . 0.0 110.042 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.749 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 23.6 t -50.83 -36.47 37.65 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.134 -1.394 . . . . 0.0 110.977 -178.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.587 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.777 0.322 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.45 -25.38 24.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.301 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -55.52 -41.43 73.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -70.86 -30.89 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.705 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.14 -36.53 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.996 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.4 -30.38 60.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -75.58 -21.12 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.056 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.58 -54.98 4.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.979 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.738 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -55.89 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 CA-C-O 121.896 0.855 . . . . 0.0 109.917 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.738 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.0 t -48.28 -43.75 33.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.736 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 120.694 0.283 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -27.2 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.115 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -40.31 64.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -74.38 -31.31 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.949 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -38.36 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.232 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -66.27 -31.92 73.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.363 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -76.47 -25.82 54.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 tp -83.52 -51.8 7.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.745 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.27 -56.68 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 CA-C-O 121.725 0.774 . . . . 0.0 110.17 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.745 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 22.2 t -51.78 -37.99 53.68 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.954 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.705 -179.731 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt -82.16 -51.15 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -23.61 39.18 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.046 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.77 -40.62 76.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -70.84 -28.13 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.678 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.2 t -76.1 -38.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.201 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -71.19 -36.97 72.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.434 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -68.56 -20.87 64.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.074 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.7 tp -83.58 -58.81 2.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.022 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.758 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -57.52 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.796 0.808 . . . . 0.0 110.138 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.758 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 39.0 m -49.25 -34.44 15.15 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.761 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.17 -59.02 2.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 13' ' ' PHE . 2.6 p90 -160.71 -0.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 2' ' ' LEU . 3.1 tt -79.73 -41.98 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.302 . . . . 0.0 110.459 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.551 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -62.78 -23.03 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.944 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.45 -38.66 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -70.96 -32.24 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.941 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.63 -42.8 80.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.294 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -68.93 -32.23 71.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.162 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -21.2 62.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.065 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.8 tp -83.52 -58.68 2.72 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.75 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -49.16 -56.48 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 CA-C-O 121.826 0.822 . . . . 0.0 109.975 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.75 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.9 t -50.97 -37.15 42.97 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.021 -1.445 . . . . 0.0 111.107 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -69.86 -59.51 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -157.16 -9.33 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.305 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.723 ' C ' HD23 ' A' ' 2' ' ' LEU . 4.7 tt -80.94 -49.39 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 0.0 110.501 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.602 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.6 -24.7 49.43 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.047 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.93 -39.51 74.61 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -71.11 -33.3 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.73 -39.28 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.328 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -70.12 -41.04 74.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -65.99 -21.34 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 110.03 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -59.83 2.34 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.157 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.749 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.73 -56.24 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-O 121.804 0.811 . . . . 0.0 110.042 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.749 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 23.6 t -50.83 -36.47 37.65 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.134 -1.394 . . . . 0.0 110.977 -178.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -70.81 -59.18 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.587 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -141.65 66.34 1.36 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.571 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.958 -1.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt -78.11 -48.79 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.45 -25.38 24.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.301 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -55.52 -41.43 73.14 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.8 mp -70.86 -30.89 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.705 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -71.14 -36.53 63.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.996 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.4 -30.38 60.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.324 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -75.58 -21.12 58.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.056 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.58 -54.98 4.54 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.979 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.738 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -48.74 -55.89 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 CA-C-O 121.896 0.855 . . . . 0.0 109.917 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.738 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.0 t -48.28 -43.75 33.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.736 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.91 -31.01 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 1.5 p90 -162.44 126.75 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.993 -1.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tt -77.49 -45.45 25.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.694 0.283 . . . . 0.0 110.54 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -27.2 63.85 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.115 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -40.31 64.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.7 mp -74.38 -31.31 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.949 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.9 t -73.95 -38.36 49.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.232 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -66.27 -31.92 73.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.363 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -76.47 -25.82 54.74 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.6 tp -83.52 -51.8 7.02 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.083 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.745 ' CG1' ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -48.27 -56.68 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 CA-C-O 121.725 0.774 . . . . 0.0 110.17 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.745 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 22.2 t -51.78 -37.99 53.68 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.954 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -63.8 -32.4 73.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.705 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' CG ' ' N ' ' A' ' 14' ' ' NH2 . 1.5 p90 -160.01 -47.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.607 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.598 ' N ' ' CG ' ' A' ' 13' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.027 -1.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_