data_1amc_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 1amc _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -47.02 -26.35 1.01 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -73.61 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.381 -0.824 . . . . 0.0 109.961 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -66.68 -9.32 34.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.8 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.4 t60 -73.79 -71.82 0.3 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.524 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 20.6 t70 -54.48 -38.78 66.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -52.81 -65.21 0.6 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 108.709 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.97 -5.68 53.57 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.146 -1.582 . . . . 0.0 109.146 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.524 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 13.4 t80 -73.53 -53.12 11.3 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.348 -1.089 . . . . 0.0 109.735 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.573 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 1.3 mt-10 -75.02 -41.95 58.28 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.42 -37.04 67.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 5.2 t60 -53.33 -56.41 16.86 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.637 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -50.53 -32.8 19.39 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.637 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -61.14 -51.49 68.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.844 . . . . 0.0 109.761 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -63.75 -46.47 85.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.154 -179.404 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -23.77 67.32 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.014 -1.054 . . . . 0.0 109.849 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.48 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 12.1 t -80.49 -35.94 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.133 -0.98 . . . . 0.0 108.547 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -56.55 11.11 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CZ ' ' CG1' ' A' ' 24' ' ' VAL . 1.3 t80 -59.83 -39.12 84.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.547 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.52 -24.21 66.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.681 -1.262 . . . . 0.0 108.887 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 mt-10 -75.8 -51.79 11.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.023 -1.048 . . . . 0.0 109.051 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -74.18 -62.45 1.51 Allowed 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.596 ' CG1' ' CZ ' ' A' ' 20' ' ' PHE . 91.3 t -62.38 -44.08 98.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.83 -0.544 . . . . 0.0 110.983 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.547 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -67.69 -44.2 82.24 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 31.9 p -50.55 -48.6 57.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -1.151 . . . . 0.0 109.203 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 27' ' ' ASN . 46.8 p-10 -108.31 44.65 1.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.589 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.082 -1.011 . . . . 0.0 109.544 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.269 0.556 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -44.38 -32.24 1.29 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -58.65 6.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.622 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.73 -13.01 39.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 109.552 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.49 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 2.9 t-160 -72.05 -67.33 0.55 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 3.1 p-10 -53.07 -42.1 65.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.446 -0.784 . . . . 0.0 109.318 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -51.18 -66.3 0.41 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 109.315 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.09 -6.4 52.89 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 5.0 t80 -71.67 -60.65 2.12 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.304 -1.115 . . . . 0.0 109.815 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.57 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 22.8 mt-10 -72.19 -39.53 68.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.408 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 8.0 t -58.98 -35.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.481 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 6.3 t60 -55.52 -56.51 19.42 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.619 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -50.35 -29.39 9.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.619 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -65.34 -45.73 83.05 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.411 -0.806 . . . . 0.0 108.886 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.28 -55.33 25.64 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.542 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -58.89 -28.58 66.3 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.348 -0.845 . . . . 0.0 109.946 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.8 t -78.25 -29.63 15.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.161 -0.962 . . . . 0.0 108.659 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -35.95 71.61 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CG ' HG22 ' A' ' 24' ' ' VAL . 4.0 t80 -74.37 -36.3 63.57 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.488 -0.757 . . . . 0.0 109.062 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -74.61 -22.61 58.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.766 -1.209 . . . . 0.0 109.177 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.6 mt-10 -77.88 -47.99 17.46 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.029 -1.044 . . . . 0.0 108.601 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -75.98 -60.3 2.39 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.594 HG22 ' CG ' ' A' ' 20' ' ' PHE . 12.1 t -61.02 -48.16 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-O 121.306 0.574 . . . . 0.0 110.481 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -64.54 -48.76 69.8 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 23.3 t -66.5 -16.56 64.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -1.172 . . . . 0.0 108.841 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 6.9 t30 -108.12 -0.89 20.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.451 -0.781 . . . . 0.0 109.279 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 24' ' ' VAL . 10.8 mttt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.494 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.76 -28.06 20.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.885 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -66.55 0.52 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.275 -0.891 . . . . 0.0 109.904 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -67.27 -9.16 37.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.823 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 4.3 t60 -77.95 -73.33 0.32 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -53.73 -31.63 49.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.034 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 1.1 m -61.05 -63.97 1.11 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.862 . . . . 0.0 109.397 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -72.02 -4.93 60.59 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.7 t80 -75.43 -63.63 1.24 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.268 -1.136 . . . . 0.0 109.713 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.58 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 29.8 mt-10 -71.36 -37.64 71.64 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 8' ' ' SER . 11.5 t -60.64 -36.18 68.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.473 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 6.4 t60 -55.0 -57.52 11.36 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.64 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.61 -30.14 8.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.64 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -64.3 -46.62 82.8 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.525 -0.734 . . . . 0.0 109.549 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' NZ ' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -64.2 -48.8 74.5 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.625 -0.672 . . . . 0.0 109.991 -179.568 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.468 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.46 -31.18 71.86 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.132 -0.98 . . . . 0.0 109.895 -179.454 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.48 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.2 t -77.71 -28.89 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.69 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -31.51 65.06 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.582 ' CD2' HG22 ' A' ' 24' ' ' VAL . 3.0 t80 -74.76 -45.93 40.57 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.505 -0.747 . . . . 0.0 109.19 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.503 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -67.98 -27.59 66.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.5 mt-10 -74.83 -41.9 59.01 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.975 -1.078 . . . . 0.0 108.869 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -69.23 0.65 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.582 HG22 ' CD2' ' A' ' 20' ' ' PHE . 40.1 t -48.43 -43.53 12.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.458 0.647 . . . . 0.0 109.454 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -72.36 -43.68 45.18 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 108.821 -1.711 . . . . 0.0 108.821 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t -44.16 -40.35 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.42 -1.047 . . . . 0.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 51.8 p30 -109.52 -4.39 16.3 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.127 -0.983 . . . . 0.0 110.582 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.113 . . . . 0.0 109.404 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.28 0.562 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -44.82 -32.4 1.55 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -61.6 2.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.638 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -64.79 -11.15 33.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.173 -0.954 . . . . 0.0 109.578 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.478 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 1.8 t60 -74.4 -69.32 0.46 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.513 -0.742 . . . . 0.0 109.007 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.461 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 23.7 m-20 -53.49 -43.04 67.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 109.505 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -63.37 1.17 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.029 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.95 -5.26 51.87 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.3 t80 -72.02 -64.54 0.92 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.221 -1.164 . . . . 0.0 109.703 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -71.01 -38.17 72.63 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 t -60.46 -36.49 69.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 5.6 t60 -54.46 -57.27 12.0 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.643 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.5 -31.5 10.25 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.643 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -63.64 -47.88 79.51 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.388 -0.82 . . . . 0.0 109.77 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.52 78.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.554 -0.716 . . . . 0.0 110.175 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD11 ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -64.22 -28.54 69.81 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.969 -1.082 . . . . 0.0 110.031 -179.419 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.1 t -79.28 -29.8 13.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -32.78 67.65 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CZ ' HG12 ' A' ' 24' ' ' VAL . 9.1 t80 -75.5 -44.52 43.42 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.36 -0.838 . . . . 0.0 109.336 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.95 -26.32 66.77 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.54 -1.35 . . . . 0.0 109.417 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.2 mt-10 -78.89 -57.59 3.67 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -63.3 -55.71 22.5 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.0 t -65.29 -62.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.792 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -52.27 -53.4 31.5 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 26.6 t -53.07 -57.91 8.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -1.147 . . . . 0.0 110.383 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 55.3 p30 -79.21 1.81 23.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.092 -1.005 . . . . 0.0 110.474 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.539 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 8.3 mmtt . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.921 -1.112 . . . . 0.0 109.414 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 4' ' ' PHE . 5.5 pt-20 -45.02 -30.59 1.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.232 -0.917 . . . . 0.0 109.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.481 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -60.84 -61.3 2.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.711 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.547 ' NH1' ' HG2' ' A' ' 5' ' ' ARG . 3.7 mtt-85 -67.37 -9.07 37.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.62 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.478 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.9 t60 -74.22 -69.81 0.43 Allowed 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.511 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 9.9 t70 -54.98 -38.94 68.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.414 -0.804 . . . . 0.0 109.044 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -64.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.94 . . . . 0.0 108.78 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -70.8 -5.41 57.13 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 11.3 t80 -72.91 -57.65 3.9 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.246 -1.15 . . . . 0.0 109.541 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.577 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 2.4 mt-10 -73.55 -40.38 64.0 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 7.7 t -59.13 -35.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 6.2 t60 -55.35 -56.95 14.17 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.637 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.76 -30.15 8.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.496 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.637 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -64.86 -47.19 78.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.515 -0.741 . . . . 0.0 109.434 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.94 -48.99 74.35 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 109.926 -179.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -62.68 -30.61 71.52 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.191 -0.943 . . . . 0.0 109.856 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.486 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 16.3 t -77.81 -28.57 15.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -34.54 67.9 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CE2' HG23 ' A' ' 24' ' ' VAL . 2.4 t80 -73.91 -39.12 64.06 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.481 -0.762 . . . . 0.0 108.992 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.51 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.728 -1.233 . . . . 0.0 109.532 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.7 mt-10 -77.19 -44.32 30.53 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.959 -1.088 . . . . 0.0 108.684 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -63.65 1.37 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.58 HG23 ' CE2' ' A' ' 20' ' ' PHE . 15.0 t -55.3 -47.86 77.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-O 121.541 0.686 . . . . 0.0 109.843 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -66.24 -46.93 75.66 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.8 t -45.37 -51.53 11.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -1.144 . . . . 0.0 108.942 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 49.2 p-10 -108.1 51.33 0.75 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.297 0.57 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.69 -76.11 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.146 -0.971 . . . . 0.0 109.455 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -47.02 -26.35 1.01 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -73.61 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.381 -0.824 . . . . 0.0 109.961 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -66.68 -9.32 34.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.8 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.4 t60 -73.79 -71.82 0.3 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.524 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 20.6 t70 -54.48 -38.78 66.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -52.81 -65.21 0.6 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 108.709 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.97 -5.68 53.57 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.146 -1.582 . . . . 0.0 109.146 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.524 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 13.4 t80 -73.53 -53.12 11.3 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.348 -1.089 . . . . 0.0 109.735 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.573 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 1.3 mt-10 -75.02 -41.95 58.28 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.42 -37.04 67.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 5.2 t60 -53.33 -56.41 16.86 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.637 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -50.53 -32.8 19.39 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.637 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -61.14 -51.49 68.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.844 . . . . 0.0 109.761 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -63.75 -46.47 85.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.154 -179.404 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -23.77 67.32 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.014 -1.054 . . . . 0.0 109.849 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.48 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 12.1 t -80.49 -35.94 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.133 -0.98 . . . . 0.0 108.547 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -56.55 11.11 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CZ ' ' CG1' ' A' ' 24' ' ' VAL . 1.3 t80 -59.83 -39.12 84.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.52 -24.21 66.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.681 -1.262 . . . . 0.0 108.887 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 mt-10 -75.8 -51.79 11.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.023 -1.048 . . . . 0.0 109.051 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -74.18 -62.45 1.51 Allowed 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.596 ' CG1' ' CZ ' ' A' ' 20' ' ' PHE . 91.3 t -62.38 -44.08 98.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.83 -0.544 . . . . 0.0 110.983 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.547 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -67.69 -44.2 82.24 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 31.9 p -50.55 -48.6 57.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -1.151 . . . . 0.0 109.203 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 27' ' ' ASN . 46.8 p-10 -108.31 44.65 1.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.589 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.082 -1.011 . . . . 0.0 109.544 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.31 0.576 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -59.05 -66.26 0.53 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.895 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -44.38 -32.24 1.29 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -58.65 6.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.622 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.73 -13.01 39.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 109.552 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.49 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 2.9 t-160 -72.05 -67.33 0.55 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 3.1 p-10 -53.07 -42.1 65.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.446 -0.784 . . . . 0.0 109.318 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -51.18 -66.3 0.41 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 109.315 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.09 -6.4 52.89 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 5.0 t80 -71.67 -60.65 2.12 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.304 -1.115 . . . . 0.0 109.815 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.57 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 22.8 mt-10 -72.19 -39.53 68.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.408 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 8.0 t -58.98 -35.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.481 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 6.3 t60 -55.52 -56.51 19.42 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.619 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -50.35 -29.39 9.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.619 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -65.34 -45.73 83.05 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.411 -0.806 . . . . 0.0 108.886 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.28 -55.33 25.64 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.542 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -58.89 -28.58 66.3 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.348 -0.845 . . . . 0.0 109.946 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.8 t -78.25 -29.63 15.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.161 -0.962 . . . . 0.0 108.659 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -35.95 71.61 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CG ' HG22 ' A' ' 24' ' ' VAL . 4.0 t80 -74.37 -36.3 63.57 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.488 -0.757 . . . . 0.0 109.062 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -74.61 -22.61 58.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.766 -1.209 . . . . 0.0 109.177 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.6 mt-10 -77.88 -47.99 17.46 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.029 -1.044 . . . . 0.0 108.601 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -75.98 -60.3 2.39 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.594 HG22 ' CG ' ' A' ' 20' ' ' PHE . 12.1 t -61.02 -48.16 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-O 121.306 0.574 . . . . 0.0 110.481 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -64.54 -48.76 69.8 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 23.3 t -66.5 -16.56 64.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -1.172 . . . . 0.0 108.841 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 6.9 t30 -108.12 -0.89 20.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.451 -0.781 . . . . 0.0 109.279 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 24' ' ' VAL . 10.8 mttt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.494 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.36 -63.5 1.13 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.359 -0.838 . . . . 0.0 109.46 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.76 -28.06 20.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.885 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -66.55 0.52 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.275 -0.891 . . . . 0.0 109.904 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -67.27 -9.16 37.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.823 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 4.3 t60 -77.95 -73.33 0.32 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -53.73 -31.63 49.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.034 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 1.1 m -61.05 -63.97 1.11 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.862 . . . . 0.0 109.397 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -72.02 -4.93 60.59 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.7 t80 -75.43 -63.63 1.24 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.268 -1.136 . . . . 0.0 109.713 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.58 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 29.8 mt-10 -71.36 -37.64 71.64 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 8' ' ' SER . 11.5 t -60.64 -36.18 68.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.473 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 6.4 t60 -55.0 -57.52 11.36 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.64 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.61 -30.14 8.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.64 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -64.3 -46.62 82.8 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.525 -0.734 . . . . 0.0 109.549 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' NZ ' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -64.2 -48.8 74.5 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.625 -0.672 . . . . 0.0 109.991 -179.568 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.46 -31.18 71.86 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.132 -0.98 . . . . 0.0 109.895 -179.454 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.48 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.2 t -77.71 -28.89 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.69 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -31.51 65.06 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.582 ' CD2' HG22 ' A' ' 24' ' ' VAL . 3.0 t80 -74.76 -45.93 40.57 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.505 -0.747 . . . . 0.0 109.19 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.503 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -67.98 -27.59 66.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.5 mt-10 -74.83 -41.9 59.01 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.975 -1.078 . . . . 0.0 108.869 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -69.23 0.65 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.582 HG22 ' CD2' ' A' ' 20' ' ' PHE . 40.1 t -48.43 -43.53 12.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.458 0.647 . . . . 0.0 109.454 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -72.36 -43.68 45.18 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 108.821 -1.711 . . . . 0.0 108.821 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t -44.16 -40.35 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.42 -1.047 . . . . 0.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 51.8 p30 -109.52 -4.39 16.3 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.127 -0.983 . . . . 0.0 110.582 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.113 . . . . 0.0 109.404 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.45 -72.43 0.15 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.258 -0.901 . . . . 0.0 109.492 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -44.82 -32.4 1.55 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -61.6 2.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.638 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -64.79 -11.15 33.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.173 -0.954 . . . . 0.0 109.578 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.478 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 1.8 t60 -74.4 -69.32 0.46 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.513 -0.742 . . . . 0.0 109.007 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.461 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 23.7 m-20 -53.49 -43.04 67.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 109.505 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -63.37 1.17 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.029 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.95 -5.26 51.87 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 2.3 t80 -72.02 -64.54 0.92 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.221 -1.164 . . . . 0.0 109.703 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -71.01 -38.17 72.63 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.3 t -60.46 -36.49 69.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 5.6 t60 -54.46 -57.27 12.0 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.643 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.5 -31.5 10.25 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.643 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -63.64 -47.88 79.51 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.388 -0.82 . . . . 0.0 109.77 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.52 78.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.554 -0.716 . . . . 0.0 110.175 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD11 ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -64.22 -28.54 69.81 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.969 -1.082 . . . . 0.0 110.031 -179.419 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.1 t -79.28 -29.8 13.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -32.78 67.65 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CZ ' HG12 ' A' ' 24' ' ' VAL . 9.1 t80 -75.5 -44.52 43.42 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.36 -0.838 . . . . 0.0 109.336 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.95 -26.32 66.77 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.54 -1.35 . . . . 0.0 109.417 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.2 mt-10 -78.89 -57.59 3.67 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -63.3 -55.71 22.5 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG12 ' CZ ' ' A' ' 20' ' ' PHE . 11.0 t -65.29 -62.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.792 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -52.27 -53.4 31.5 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 26.6 t -53.07 -57.91 8.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -1.147 . . . . 0.0 110.383 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 55.3 p30 -79.21 1.81 23.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.092 -1.005 . . . . 0.0 110.474 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 8.3 mmtt . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.921 -1.112 . . . . 0.0 109.414 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.8 -72.65 0.1 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 0.0 109.528 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 4' ' ' PHE . 5.5 pt-20 -45.02 -30.59 1.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.232 -0.917 . . . . 0.0 109.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.481 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -60.84 -61.3 2.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.711 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.547 ' NH1' ' HG2' ' A' ' 5' ' ' ARG . 3.7 mtt-85 -67.37 -9.07 37.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.62 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.478 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.9 t60 -74.22 -69.81 0.43 Allowed 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.511 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 9.9 t70 -54.98 -38.94 68.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.414 -0.804 . . . . 0.0 109.044 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -64.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.94 . . . . 0.0 108.78 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -70.8 -5.41 57.13 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 11.3 t80 -72.91 -57.65 3.9 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.246 -1.15 . . . . 0.0 109.541 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 2.4 mt-10 -73.55 -40.38 64.0 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 7.7 t -59.13 -35.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.467 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 6.2 t60 -55.35 -56.95 14.17 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.637 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.76 -30.15 8.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.496 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.637 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -64.86 -47.19 78.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.515 -0.741 . . . . 0.0 109.434 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.94 -48.99 74.35 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 109.926 -179.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -62.68 -30.61 71.52 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.191 -0.943 . . . . 0.0 109.856 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 16.3 t -77.81 -28.57 15.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -34.54 67.9 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CE2' HG23 ' A' ' 24' ' ' VAL . 2.4 t80 -73.91 -39.12 64.06 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.481 -0.762 . . . . 0.0 108.992 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.51 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.728 -1.233 . . . . 0.0 109.532 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.7 mt-10 -77.19 -44.32 30.53 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.959 -1.088 . . . . 0.0 108.684 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -63.65 1.37 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG23 ' CE2' ' A' ' 20' ' ' PHE . 15.0 t -55.3 -47.86 77.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-O 121.541 0.686 . . . . 0.0 109.843 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -66.24 -46.93 75.66 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.8 t -45.37 -51.53 11.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -1.144 . . . . 0.0 108.942 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 49.2 p-10 -108.1 51.33 0.75 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -47.02 -26.35 1.01 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -73.61 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.381 -0.824 . . . . 0.0 109.961 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -66.68 -9.32 34.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.8 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.5 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.4 t60 -73.79 -71.82 0.3 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.529 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 20.6 t70 -54.48 -38.78 66.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -52.81 -65.21 0.6 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 108.709 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.97 -5.68 53.57 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.146 -1.582 . . . . 0.0 109.146 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.529 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 13.4 t80 -73.53 -53.12 11.3 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.348 -1.089 . . . . 0.0 109.735 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.573 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 1.3 mt-10 -75.02 -41.95 58.28 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.42 -37.04 67.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 6.4 t-80 -53.33 -56.41 16.86 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.573 ' ND1' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -50.53 -32.8 19.39 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.487 ' OE1' ' CE1' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -61.14 -51.49 68.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.844 . . . . 0.0 109.761 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -63.75 -46.47 85.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.154 -179.404 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -23.77 67.32 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.014 -1.054 . . . . 0.0 109.849 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 12.1 t -80.49 -35.94 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.133 -0.98 . . . . 0.0 108.547 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -56.55 11.11 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 1.087 ' CE2' HG21 ' A' ' 24' ' ' VAL . 1.3 t80 -59.83 -39.12 84.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.539 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.52 -24.21 66.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.681 -1.262 . . . . 0.0 108.887 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 mt-10 -75.8 -51.79 11.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.023 -1.048 . . . . 0.0 109.051 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -74.18 -62.45 1.51 Allowed 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.087 HG21 ' CE2' ' A' ' 20' ' ' PHE . 91.3 t -62.38 -44.08 98.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.83 -0.544 . . . . 0.0 110.983 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -67.69 -44.2 82.24 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 31.9 p -50.55 -48.6 57.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -1.151 . . . . 0.0 109.203 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 46.8 p-10 -108.31 44.65 1.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.589 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HG3' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.082 -1.011 . . . . 0.0 109.544 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.269 0.556 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -44.38 -32.24 1.29 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -58.65 6.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.622 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.73 -13.01 39.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 109.552 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 1.4 t-80 -72.05 -67.33 0.55 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 3.1 p-10 -53.07 -42.1 65.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.446 -0.784 . . . . 0.0 109.318 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -51.18 -66.3 0.41 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 109.315 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.09 -6.4 52.89 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 5.0 t80 -71.67 -60.65 2.12 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.304 -1.115 . . . . 0.0 109.815 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.57 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 22.8 mt-10 -72.19 -39.53 68.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 8.0 t -58.98 -35.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 6.3 t-80 -55.52 -56.51 19.42 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -50.35 -29.39 9.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.507 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.472 ' OE1' ' CE1' ' A' ' 14' ' ' HIS . 0.9 OUTLIER -65.34 -45.73 83.05 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.411 -0.806 . . . . 0.0 108.886 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.28 -55.33 25.64 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -58.89 -28.58 66.3 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.348 -0.845 . . . . 0.0 109.946 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.8 t -78.25 -29.63 15.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.161 -0.962 . . . . 0.0 108.659 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -35.95 71.61 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.974 ' CE2' HG21 ' A' ' 24' ' ' VAL . 4.0 t80 -74.37 -36.3 63.57 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.488 -0.757 . . . . 0.0 109.062 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -74.61 -22.61 58.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.766 -1.209 . . . . 0.0 109.177 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.6 mt-10 -77.88 -47.99 17.46 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.029 -1.044 . . . . 0.0 108.601 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -75.98 -60.3 2.39 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.629 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.974 HG21 ' CE2' ' A' ' 20' ' ' PHE . 12.1 t -61.02 -48.16 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-O 121.306 0.574 . . . . 0.0 110.481 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -64.54 -48.76 69.8 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 23.3 t -66.5 -16.56 64.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -1.172 . . . . 0.0 108.841 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 6.9 t30 -108.12 -0.89 20.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.451 -0.781 . . . . 0.0 109.279 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HE3' HG12 ' A' ' 24' ' ' VAL . 10.8 mttt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.494 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 4' ' ' PHE . 10.6 pt-20 -52.76 -28.06 20.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.885 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -61.36 -66.55 0.52 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.275 -0.891 . . . . 0.0 109.904 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -67.27 -9.16 37.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.823 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.501 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 4.3 t60 -77.95 -73.33 0.32 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -53.73 -31.63 49.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.034 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 1.1 m -61.05 -63.97 1.11 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.862 . . . . 0.0 109.397 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -72.02 -4.93 60.59 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.7 t80 -75.43 -63.63 1.24 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.268 -1.136 . . . . 0.0 109.713 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.58 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 29.8 mt-10 -71.36 -37.64 71.64 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.476 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 11.5 t -60.64 -36.18 68.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 5.7 t-80 -55.0 -57.52 11.36 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.58 ' ND1' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -49.61 -30.14 8.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.49 ' OE1' ' CE1' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -64.3 -46.62 82.8 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.525 -0.734 . . . . 0.0 109.549 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -48.8 74.5 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.625 -0.672 . . . . 0.0 109.991 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.46 -31.18 71.86 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.132 -0.98 . . . . 0.0 109.895 -179.454 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.2 t -77.71 -28.89 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.69 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -31.51 65.06 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 1.015 ' CE2' HG21 ' A' ' 24' ' ' VAL . 3.0 t80 -74.76 -45.93 40.57 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.505 -0.747 . . . . 0.0 109.19 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -67.98 -27.59 66.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.5 mt-10 -74.83 -41.9 59.01 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.975 -1.078 . . . . 0.0 108.869 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -69.23 0.65 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.015 HG21 ' CE2' ' A' ' 20' ' ' PHE . 40.1 t -48.43 -43.53 12.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.458 0.647 . . . . 0.0 109.454 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -72.36 -43.68 45.18 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 108.821 -1.711 . . . . 0.0 108.821 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t -44.16 -40.35 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.42 -1.047 . . . . 0.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 51.8 p30 -109.52 -4.39 16.3 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.127 -0.983 . . . . 0.0 110.582 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.113 . . . . 0.0 109.404 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.28 0.562 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -44.82 -32.4 1.55 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -61.6 2.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.638 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -64.79 -11.15 33.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.173 -0.954 . . . . 0.0 109.578 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.482 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 1.8 t60 -74.4 -69.32 0.46 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.513 -0.742 . . . . 0.0 109.007 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.491 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 23.7 m-20 -53.49 -43.04 67.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 109.505 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -63.37 1.17 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.029 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.95 -5.26 51.87 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.491 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.3 t80 -72.02 -64.54 0.92 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.221 -1.164 . . . . 0.0 109.703 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -71.01 -38.17 72.63 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 9.3 t -60.46 -36.49 69.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 5.5 t-80 -54.46 -57.27 12.0 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -49.5 -31.5 10.25 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.587 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.489 ' OE1' ' CE1' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -63.64 -47.88 79.51 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.388 -0.82 . . . . 0.0 109.77 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.52 78.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.554 -0.716 . . . . 0.0 110.175 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -64.22 -28.54 69.81 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.969 -1.082 . . . . 0.0 110.031 -179.419 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.1 t -79.28 -29.8 13.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -32.78 67.65 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.708 ' CE2' HG21 ' A' ' 24' ' ' VAL . 9.1 t80 -75.5 -44.52 43.42 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.36 -0.838 . . . . 0.0 109.336 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.95 -26.32 66.77 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.54 -1.35 . . . . 0.0 109.417 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.2 mt-10 -78.89 -57.59 3.67 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -63.3 -55.71 22.5 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.85 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.708 HG21 ' CE2' ' A' ' 20' ' ' PHE . 11.0 t -65.29 -62.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.792 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -52.27 -53.4 31.5 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 26.6 t -53.07 -57.91 8.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -1.147 . . . . 0.0 110.383 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 55.3 p30 -79.21 1.81 23.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.092 -1.005 . . . . 0.0 110.474 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HG3' HG12 ' A' ' 24' ' ' VAL . 8.3 mmtt . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.921 -1.112 . . . . 0.0 109.414 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 4' ' ' PHE . 5.5 pt-20 -45.02 -30.59 1.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.232 -0.917 . . . . 0.0 109.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.489 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -60.84 -61.3 2.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.711 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.542 ' HG2' ' NH1' ' A' ' 5' ' ' ARG . 3.7 mtt-85 -67.37 -9.07 37.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.62 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.9 t60 -74.22 -69.81 0.43 Allowed 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.515 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 9.9 t70 -54.98 -38.94 68.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.414 -0.804 . . . . 0.0 109.044 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -64.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.94 . . . . 0.0 108.78 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -70.8 -5.41 57.13 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 11.3 t80 -72.91 -57.65 3.9 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.246 -1.15 . . . . 0.0 109.541 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.577 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 2.4 mt-10 -73.55 -40.38 64.0 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.432 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 7.7 t -59.13 -35.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 6.6 t-80 -55.35 -56.95 14.17 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -49.76 -30.15 8.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.496 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.482 ' OE1' ' CE1' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -64.86 -47.19 78.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.515 -0.741 . . . . 0.0 109.434 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.94 -48.99 74.35 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 109.926 -179.582 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -62.68 -30.61 71.52 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.191 -0.943 . . . . 0.0 109.856 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 16.3 t -77.81 -28.57 15.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -34.54 67.9 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.973 ' CE2' HG21 ' A' ' 24' ' ' VAL . 2.4 t80 -73.91 -39.12 64.06 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.481 -0.762 . . . . 0.0 108.992 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.728 -1.233 . . . . 0.0 109.532 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.7 mt-10 -77.19 -44.32 30.53 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.959 -1.088 . . . . 0.0 108.684 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -63.65 1.37 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.973 HG21 ' CE2' ' A' ' 20' ' ' PHE . 15.0 t -55.3 -47.86 77.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-O 121.541 0.686 . . . . 0.0 109.843 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -66.24 -46.93 75.66 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.8 t -45.37 -51.53 11.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -1.144 . . . . 0.0 108.942 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 49.2 p-10 -108.1 51.33 0.75 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.297 0.57 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.69 -76.11 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.146 -0.971 . . . . 0.0 109.455 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -47.02 -26.35 1.01 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -73.61 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.381 -0.824 . . . . 0.0 109.961 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -66.68 -9.32 34.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.8 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.5 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.4 t60 -73.79 -71.82 0.3 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.529 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 20.6 t70 -54.48 -38.78 66.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -52.81 -65.21 0.6 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 108.709 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.97 -5.68 53.57 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.146 -1.582 . . . . 0.0 109.146 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.529 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 13.4 t80 -73.53 -53.12 11.3 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.348 -1.089 . . . . 0.0 109.735 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.573 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 1.3 mt-10 -75.02 -41.95 58.28 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.42 -37.04 67.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 6.4 t-80 -53.33 -56.41 16.86 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.573 ' ND1' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -50.53 -32.8 19.39 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.487 ' OE1' ' CE1' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -61.14 -51.49 68.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.844 . . . . 0.0 109.761 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -63.75 -46.47 85.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.154 -179.404 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -23.77 67.32 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.014 -1.054 . . . . 0.0 109.849 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 12.1 t -80.49 -35.94 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.133 -0.98 . . . . 0.0 108.547 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -56.55 11.11 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 1.087 ' CE2' HG21 ' A' ' 24' ' ' VAL . 1.3 t80 -59.83 -39.12 84.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.52 -24.21 66.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.681 -1.262 . . . . 0.0 108.887 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 mt-10 -75.8 -51.79 11.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.023 -1.048 . . . . 0.0 109.051 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -74.18 -62.45 1.51 Allowed 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.087 HG21 ' CE2' ' A' ' 20' ' ' PHE . 91.3 t -62.38 -44.08 98.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.83 -0.544 . . . . 0.0 110.983 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -67.69 -44.2 82.24 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 31.9 p -50.55 -48.6 57.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -1.151 . . . . 0.0 109.203 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.42 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 46.8 p-10 -108.31 44.65 1.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.589 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HG3' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.082 -1.011 . . . . 0.0 109.544 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.31 0.576 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -59.05 -66.26 0.53 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.895 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -44.38 -32.24 1.29 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -58.65 6.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.622 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.73 -13.01 39.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 109.552 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 1.4 t-80 -72.05 -67.33 0.55 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 3.1 p-10 -53.07 -42.1 65.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.446 -0.784 . . . . 0.0 109.318 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -51.18 -66.3 0.41 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 109.315 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.09 -6.4 52.89 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 5.0 t80 -71.67 -60.65 2.12 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.304 -1.115 . . . . 0.0 109.815 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.57 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 22.8 mt-10 -72.19 -39.53 68.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 8.0 t -58.98 -35.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 6.3 t-80 -55.52 -56.51 19.42 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -50.35 -29.39 9.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.507 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.472 ' OE1' ' CE1' ' A' ' 14' ' ' HIS . 0.9 OUTLIER -65.34 -45.73 83.05 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.411 -0.806 . . . . 0.0 108.886 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.28 -55.33 25.64 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -58.89 -28.58 66.3 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.348 -0.845 . . . . 0.0 109.946 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.8 t -78.25 -29.63 15.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.161 -0.962 . . . . 0.0 108.659 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -35.95 71.61 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.974 ' CE2' HG21 ' A' ' 24' ' ' VAL . 4.0 t80 -74.37 -36.3 63.57 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.488 -0.757 . . . . 0.0 109.062 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -74.61 -22.61 58.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.766 -1.209 . . . . 0.0 109.177 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.6 mt-10 -77.88 -47.99 17.46 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.029 -1.044 . . . . 0.0 108.601 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -75.98 -60.3 2.39 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.629 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.974 HG21 ' CE2' ' A' ' 20' ' ' PHE . 12.1 t -61.02 -48.16 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-O 121.306 0.574 . . . . 0.0 110.481 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -64.54 -48.76 69.8 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 23.3 t -66.5 -16.56 64.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -1.172 . . . . 0.0 108.841 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 6.9 t30 -108.12 -0.89 20.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.451 -0.781 . . . . 0.0 109.279 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HE3' HG12 ' A' ' 24' ' ' VAL . 10.8 mttt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.494 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.36 -63.5 1.13 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.359 -0.838 . . . . 0.0 109.46 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 4' ' ' PHE . 10.6 pt-20 -52.76 -28.06 20.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.885 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -61.36 -66.55 0.52 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.275 -0.891 . . . . 0.0 109.904 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -67.27 -9.16 37.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.823 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.501 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 4.3 t60 -77.95 -73.33 0.32 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -53.73 -31.63 49.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.034 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 1.1 m -61.05 -63.97 1.11 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.862 . . . . 0.0 109.397 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -72.02 -4.93 60.59 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.7 t80 -75.43 -63.63 1.24 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.268 -1.136 . . . . 0.0 109.713 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.58 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 29.8 mt-10 -71.36 -37.64 71.64 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 11.5 t -60.64 -36.18 68.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 5.7 t-80 -55.0 -57.52 11.36 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.58 ' ND1' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -49.61 -30.14 8.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.49 ' OE1' ' CE1' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -64.3 -46.62 82.8 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.525 -0.734 . . . . 0.0 109.549 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -48.8 74.5 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.625 -0.672 . . . . 0.0 109.991 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.46 -31.18 71.86 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.132 -0.98 . . . . 0.0 109.895 -179.454 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.2 t -77.71 -28.89 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.69 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -31.51 65.06 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 1.015 ' CE2' HG21 ' A' ' 24' ' ' VAL . 3.0 t80 -74.76 -45.93 40.57 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.505 -0.747 . . . . 0.0 109.19 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -67.98 -27.59 66.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.5 mt-10 -74.83 -41.9 59.01 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.975 -1.078 . . . . 0.0 108.869 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -69.23 0.65 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.015 HG21 ' CE2' ' A' ' 20' ' ' PHE . 40.1 t -48.43 -43.53 12.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.458 0.647 . . . . 0.0 109.454 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -72.36 -43.68 45.18 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 108.821 -1.711 . . . . 0.0 108.821 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t -44.16 -40.35 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.42 -1.047 . . . . 0.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 51.8 p30 -109.52 -4.39 16.3 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.127 -0.983 . . . . 0.0 110.582 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.113 . . . . 0.0 109.404 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.45 -72.43 0.15 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.258 -0.901 . . . . 0.0 109.492 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -44.82 -32.4 1.55 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -61.6 2.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.638 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -64.79 -11.15 33.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.173 -0.954 . . . . 0.0 109.578 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.482 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 1.8 t60 -74.4 -69.32 0.46 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.513 -0.742 . . . . 0.0 109.007 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.491 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 23.7 m-20 -53.49 -43.04 67.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 109.505 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -63.37 1.17 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.029 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.95 -5.26 51.87 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.3 t80 -72.02 -64.54 0.92 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.221 -1.164 . . . . 0.0 109.703 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -71.01 -38.17 72.63 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 9.3 t -60.46 -36.49 69.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 5.5 t-80 -54.46 -57.27 12.0 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.579 ' ND1' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -49.5 -31.5 10.25 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.587 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.489 ' OE1' ' CE1' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -63.64 -47.88 79.51 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.388 -0.82 . . . . 0.0 109.77 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.52 78.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.554 -0.716 . . . . 0.0 110.175 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -64.22 -28.54 69.81 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.969 -1.082 . . . . 0.0 110.031 -179.419 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.1 t -79.28 -29.8 13.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -32.78 67.65 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.708 ' CE2' HG21 ' A' ' 24' ' ' VAL . 9.1 t80 -75.5 -44.52 43.42 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.36 -0.838 . . . . 0.0 109.336 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.95 -26.32 66.77 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.54 -1.35 . . . . 0.0 109.417 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.2 mt-10 -78.89 -57.59 3.67 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -63.3 -55.71 22.5 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.85 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.708 HG21 ' CE2' ' A' ' 20' ' ' PHE . 11.0 t -65.29 -62.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.792 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -52.27 -53.4 31.5 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 26.6 t -53.07 -57.91 8.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -1.147 . . . . 0.0 110.383 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 55.3 p30 -79.21 1.81 23.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.092 -1.005 . . . . 0.0 110.474 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HG3' HG12 ' A' ' 24' ' ' VAL . 8.3 mmtt . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.921 -1.112 . . . . 0.0 109.414 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.8 -72.65 0.1 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 0.0 109.528 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 4' ' ' PHE . 5.5 pt-20 -45.02 -30.59 1.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.232 -0.917 . . . . 0.0 109.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -60.84 -61.3 2.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.711 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.542 ' HG2' ' NH1' ' A' ' 5' ' ' ARG . 3.7 mtt-85 -67.37 -9.07 37.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.62 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.9 t60 -74.22 -69.81 0.43 Allowed 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.515 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 9.9 t70 -54.98 -38.94 68.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.414 -0.804 . . . . 0.0 109.044 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -64.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.94 . . . . 0.0 108.78 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -70.8 -5.41 57.13 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 11.3 t80 -72.91 -57.65 3.9 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.246 -1.15 . . . . 0.0 109.541 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 2.4 mt-10 -73.55 -40.38 64.0 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.432 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 7.7 t -59.13 -35.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 6.6 t-80 -55.35 -56.95 14.17 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -49.76 -30.15 8.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.496 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.482 ' OE1' ' CE1' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -64.86 -47.19 78.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.515 -0.741 . . . . 0.0 109.434 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.94 -48.99 74.35 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 109.926 -179.582 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -62.68 -30.61 71.52 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.191 -0.943 . . . . 0.0 109.856 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 16.3 t -77.81 -28.57 15.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -34.54 67.9 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.973 ' CE2' HG21 ' A' ' 24' ' ' VAL . 2.4 t80 -73.91 -39.12 64.06 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.481 -0.762 . . . . 0.0 108.992 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.728 -1.233 . . . . 0.0 109.532 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.7 mt-10 -77.19 -44.32 30.53 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.959 -1.088 . . . . 0.0 108.684 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -63.65 1.37 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.973 HG21 ' CE2' ' A' ' 20' ' ' PHE . 15.0 t -55.3 -47.86 77.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-O 121.541 0.686 . . . . 0.0 109.843 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -66.24 -46.93 75.66 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.8 t -45.37 -51.53 11.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -1.144 . . . . 0.0 108.942 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 49.2 p-10 -108.1 51.33 0.75 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -47.02 -26.35 1.01 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -73.61 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.381 -0.824 . . . . 0.0 109.961 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -66.68 -9.32 34.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.8 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.5 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.4 t60 -73.79 -71.82 0.3 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.529 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 20.6 t70 -54.48 -38.78 66.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -52.81 -65.21 0.6 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 108.709 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.97 -5.68 53.57 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.146 -1.582 . . . . 0.0 109.146 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.529 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 13.4 t80 -73.53 -53.12 11.3 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.348 -1.089 . . . . 0.0 109.735 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.573 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 1.3 mt-10 -75.02 -41.95 58.28 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.42 -37.04 67.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 5.2 t60 -53.33 -56.41 16.86 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.637 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -50.53 -32.8 19.39 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.637 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -61.14 -51.49 68.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.844 . . . . 0.0 109.761 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -63.75 -46.47 85.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.154 -179.404 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -23.77 67.32 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.014 -1.054 . . . . 0.0 109.849 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 12.1 t -80.49 -35.94 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.133 -0.98 . . . . 0.0 108.547 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -56.55 11.11 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 1.087 ' CE2' HG21 ' A' ' 24' ' ' VAL . 1.3 t80 -59.83 -39.12 84.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.539 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.52 -24.21 66.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.681 -1.262 . . . . 0.0 108.887 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 mt-10 -75.8 -51.79 11.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.023 -1.048 . . . . 0.0 109.051 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -74.18 -62.45 1.51 Allowed 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.087 HG21 ' CE2' ' A' ' 20' ' ' PHE . 91.3 t -62.38 -44.08 98.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.83 -0.544 . . . . 0.0 110.983 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -67.69 -44.2 82.24 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 31.9 p -50.55 -48.6 57.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -1.151 . . . . 0.0 109.203 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 27' ' ' ASN . 46.8 p-10 -108.31 44.65 1.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.589 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HG3' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.082 -1.011 . . . . 0.0 109.544 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.269 0.556 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -44.38 -32.24 1.29 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -58.65 6.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.622 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.73 -13.01 39.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 109.552 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 2.9 t-160 -72.05 -67.33 0.55 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 3.1 p-10 -53.07 -42.1 65.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.446 -0.784 . . . . 0.0 109.318 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -51.18 -66.3 0.41 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 109.315 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.09 -6.4 52.89 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 5.0 t80 -71.67 -60.65 2.12 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.304 -1.115 . . . . 0.0 109.815 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.57 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 22.8 mt-10 -72.19 -39.53 68.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 8.0 t -58.98 -35.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.481 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 6.3 t60 -55.52 -56.51 19.42 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.619 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -50.35 -29.39 9.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.619 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -65.34 -45.73 83.05 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.411 -0.806 . . . . 0.0 108.886 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.28 -55.33 25.64 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -58.89 -28.58 66.3 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.348 -0.845 . . . . 0.0 109.946 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.8 t -78.25 -29.63 15.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.161 -0.962 . . . . 0.0 108.659 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -35.95 71.61 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.974 ' CE2' HG21 ' A' ' 24' ' ' VAL . 4.0 t80 -74.37 -36.3 63.57 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.488 -0.757 . . . . 0.0 109.062 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -74.61 -22.61 58.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.766 -1.209 . . . . 0.0 109.177 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.6 mt-10 -77.88 -47.99 17.46 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.029 -1.044 . . . . 0.0 108.601 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -75.98 -60.3 2.39 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.629 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.974 HG21 ' CE2' ' A' ' 20' ' ' PHE . 12.1 t -61.02 -48.16 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-O 121.306 0.574 . . . . 0.0 110.481 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -64.54 -48.76 69.8 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 23.3 t -66.5 -16.56 64.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -1.172 . . . . 0.0 108.841 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 6.9 t30 -108.12 -0.89 20.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.451 -0.781 . . . . 0.0 109.279 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HE3' HG12 ' A' ' 24' ' ' VAL . 10.8 mttt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.494 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 4' ' ' PHE . 10.6 pt-20 -52.76 -28.06 20.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.885 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.411 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -61.36 -66.55 0.52 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.275 -0.891 . . . . 0.0 109.904 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -67.27 -9.16 37.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.823 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.501 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 4.3 t60 -77.95 -73.33 0.32 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -53.73 -31.63 49.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.034 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 1.1 m -61.05 -63.97 1.11 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.862 . . . . 0.0 109.397 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -72.02 -4.93 60.59 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.7 t80 -75.43 -63.63 1.24 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.268 -1.136 . . . . 0.0 109.713 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.58 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 29.8 mt-10 -71.36 -37.64 71.64 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.476 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 11.5 t -60.64 -36.18 68.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 6.4 t60 -55.0 -57.52 11.36 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.64 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.61 -30.14 8.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.64 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -64.3 -46.62 82.8 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.525 -0.734 . . . . 0.0 109.549 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -48.8 74.5 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.625 -0.672 . . . . 0.0 109.991 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.46 -31.18 71.86 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.132 -0.98 . . . . 0.0 109.895 -179.454 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.2 t -77.71 -28.89 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.69 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -31.51 65.06 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 1.015 ' CE2' HG21 ' A' ' 24' ' ' VAL . 3.0 t80 -74.76 -45.93 40.57 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.505 -0.747 . . . . 0.0 109.19 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -67.98 -27.59 66.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.5 mt-10 -74.83 -41.9 59.01 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.975 -1.078 . . . . 0.0 108.869 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -69.23 0.65 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.015 HG21 ' CE2' ' A' ' 20' ' ' PHE . 40.1 t -48.43 -43.53 12.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.458 0.647 . . . . 0.0 109.454 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -72.36 -43.68 45.18 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 108.821 -1.711 . . . . 0.0 108.821 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t -44.16 -40.35 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.42 -1.047 . . . . 0.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 51.8 p30 -109.52 -4.39 16.3 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.127 -0.983 . . . . 0.0 110.582 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.113 . . . . 0.0 109.404 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.28 0.562 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -44.82 -32.4 1.55 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -61.6 2.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.638 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -64.79 -11.15 33.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.173 -0.954 . . . . 0.0 109.578 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.482 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 1.8 t60 -74.4 -69.32 0.46 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.513 -0.742 . . . . 0.0 109.007 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.491 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 23.7 m-20 -53.49 -43.04 67.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 109.505 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -63.37 1.17 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.029 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.95 -5.26 51.87 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.491 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.3 t80 -72.02 -64.54 0.92 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.221 -1.164 . . . . 0.0 109.703 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -71.01 -38.17 72.63 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 9.3 t -60.46 -36.49 69.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 5.6 t60 -54.46 -57.27 12.0 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.643 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.5 -31.5 10.25 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.643 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -63.64 -47.88 79.51 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.388 -0.82 . . . . 0.0 109.77 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.52 78.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.554 -0.716 . . . . 0.0 110.175 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -64.22 -28.54 69.81 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.969 -1.082 . . . . 0.0 110.031 -179.419 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.1 t -79.28 -29.8 13.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -32.78 67.65 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.708 ' CE2' HG21 ' A' ' 24' ' ' VAL . 9.1 t80 -75.5 -44.52 43.42 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.36 -0.838 . . . . 0.0 109.336 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.95 -26.32 66.77 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.54 -1.35 . . . . 0.0 109.417 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.2 mt-10 -78.89 -57.59 3.67 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -63.3 -55.71 22.5 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.708 HG21 ' CE2' ' A' ' 20' ' ' PHE . 11.0 t -65.29 -62.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.792 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -52.27 -53.4 31.5 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 26.6 t -53.07 -57.91 8.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -1.147 . . . . 0.0 110.383 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 55.3 p30 -79.21 1.81 23.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.092 -1.005 . . . . 0.0 110.474 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HG3' HG12 ' A' ' 24' ' ' VAL . 8.3 mmtt . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.921 -1.112 . . . . 0.0 109.414 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 4' ' ' PHE . 5.5 pt-20 -45.02 -30.59 1.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.232 -0.917 . . . . 0.0 109.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.489 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -60.84 -61.3 2.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.711 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.542 ' NH1' ' HG2' ' A' ' 5' ' ' ARG . 3.7 mtt-85 -67.37 -9.07 37.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.62 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.9 t60 -74.22 -69.81 0.43 Allowed 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.515 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 9.9 t70 -54.98 -38.94 68.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.414 -0.804 . . . . 0.0 109.044 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -64.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.94 . . . . 0.0 108.78 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -70.8 -5.41 57.13 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 11.3 t80 -72.91 -57.65 3.9 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.246 -1.15 . . . . 0.0 109.541 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.577 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 2.4 mt-10 -73.55 -40.38 64.0 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.432 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 7.7 t -59.13 -35.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 6.2 t60 -55.35 -56.95 14.17 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.637 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.76 -30.15 8.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.496 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.637 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -64.86 -47.19 78.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.515 -0.741 . . . . 0.0 109.434 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.94 -48.99 74.35 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 109.926 -179.582 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -62.68 -30.61 71.52 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.191 -0.943 . . . . 0.0 109.856 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 16.3 t -77.81 -28.57 15.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -34.54 67.9 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.973 ' CE2' HG21 ' A' ' 24' ' ' VAL . 2.4 t80 -73.91 -39.12 64.06 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.481 -0.762 . . . . 0.0 108.992 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.501 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.728 -1.233 . . . . 0.0 109.532 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.7 mt-10 -77.19 -44.32 30.53 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.959 -1.088 . . . . 0.0 108.684 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -63.65 1.37 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.973 HG21 ' CE2' ' A' ' 20' ' ' PHE . 15.0 t -55.3 -47.86 77.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-O 121.541 0.686 . . . . 0.0 109.843 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -66.24 -46.93 75.66 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.8 t -45.37 -51.53 11.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -1.144 . . . . 0.0 108.942 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 49.2 p-10 -108.1 51.33 0.75 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.297 0.57 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.69 -76.11 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.146 -0.971 . . . . 0.0 109.455 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -47.02 -26.35 1.01 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.838 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -73.61 0.09 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.381 -0.824 . . . . 0.0 109.961 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -66.68 -9.32 34.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.191 -0.943 . . . . 0.0 109.8 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.5 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.4 t60 -73.79 -71.82 0.3 Allowed 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.529 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 20.6 t70 -54.48 -38.78 66.82 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.36 -0.837 . . . . 0.0 109.259 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -52.81 -65.21 0.6 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 108.709 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.97 -5.68 53.57 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.146 -1.582 . . . . 0.0 109.146 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.529 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 13.4 t80 -73.53 -53.12 11.3 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.348 -1.089 . . . . 0.0 109.735 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.573 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 1.3 mt-10 -75.02 -41.95 58.28 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.42 -37.04 67.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 5.2 t60 -53.33 -56.41 16.86 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.038 -1.838 . . . . 0.0 106.038 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.637 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -50.53 -32.8 19.39 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.637 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -61.14 -51.49 68.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.349 -0.844 . . . . 0.0 109.761 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -63.75 -46.47 85.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.478 -0.764 . . . . 0.0 110.154 -179.404 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -23.77 67.32 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.014 -1.054 . . . . 0.0 109.849 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 12.1 t -80.49 -35.94 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.133 -0.98 . . . . 0.0 108.547 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -56.55 11.11 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 1.087 ' CE2' HG21 ' A' ' 24' ' ' VAL . 1.3 t80 -59.83 -39.12 84.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.52 -24.21 66.35 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.681 -1.262 . . . . 0.0 108.887 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 mt-10 -75.8 -51.79 11.84 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.023 -1.048 . . . . 0.0 109.051 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -74.18 -62.45 1.51 Allowed 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.087 HG21 ' CE2' ' A' ' 20' ' ' PHE . 91.3 t -62.38 -44.08 98.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.83 -0.544 . . . . 0.0 110.983 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.539 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -67.69 -44.2 82.24 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 31.9 p -50.55 -48.6 57.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -1.151 . . . . 0.0 109.203 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.42 ' C ' ' OD1' ' A' ' 27' ' ' ASN . 46.8 p-10 -108.31 44.65 1.09 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.589 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HG3' HG12 ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.082 -1.011 . . . . 0.0 109.544 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.31 0.576 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -59.05 -66.26 0.53 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.895 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -44.38 -32.24 1.29 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.151 -0.968 . . . . 0.0 109.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -58.65 6.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.622 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -63.73 -13.01 39.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.241 -0.912 . . . . 0.0 109.552 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 2.9 t-160 -72.05 -67.33 0.55 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 3.1 p-10 -53.07 -42.1 65.53 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.446 -0.784 . . . . 0.0 109.318 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 t -51.18 -66.3 0.41 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.295 -0.878 . . . . 0.0 109.315 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.09 -6.4 52.89 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 5.0 t80 -71.67 -60.65 2.12 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.304 -1.115 . . . . 0.0 109.815 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.57 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 22.8 mt-10 -72.19 -39.53 68.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 8.0 t -58.98 -35.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.481 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 6.3 t60 -55.52 -56.51 19.42 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 105.761 -1.94 . . . . 0.0 105.761 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.619 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -50.35 -29.39 9.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.619 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -65.34 -45.73 83.05 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.411 -0.806 . . . . 0.0 108.886 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -63.28 -55.33 25.64 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -58.89 -28.58 66.3 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.348 -0.845 . . . . 0.0 109.946 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 15.8 t -78.25 -29.63 15.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.161 -0.962 . . . . 0.0 108.659 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -35.95 71.61 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.974 ' CE2' HG21 ' A' ' 24' ' ' VAL . 4.0 t80 -74.37 -36.3 63.57 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.488 -0.757 . . . . 0.0 109.062 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -74.61 -22.61 58.85 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.766 -1.209 . . . . 0.0 109.177 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.6 mt-10 -77.88 -47.99 17.46 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.029 -1.044 . . . . 0.0 108.601 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -75.98 -60.3 2.39 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.629 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.974 HG21 ' CE2' ' A' ' 20' ' ' PHE . 12.1 t -61.02 -48.16 90.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 CA-C-O 121.306 0.574 . . . . 0.0 110.481 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -64.54 -48.76 69.8 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 23.3 t -66.5 -16.56 64.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -1.172 . . . . 0.0 108.841 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 6.9 t30 -108.12 -0.89 20.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.451 -0.781 . . . . 0.0 109.279 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HE3' HG12 ' A' ' 24' ' ' VAL . 10.8 mttt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.494 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.36 -63.5 1.13 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.359 -0.838 . . . . 0.0 109.46 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 4' ' ' PHE . 10.6 pt-20 -52.76 -28.06 20.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.194 -0.941 . . . . 0.0 109.885 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -61.36 -66.55 0.52 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.275 -0.891 . . . . 0.0 109.904 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -67.27 -9.16 37.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.823 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.501 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 4.3 t60 -77.95 -73.33 0.32 Allowed 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -53.73 -31.63 49.0 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.319 -0.863 . . . . 0.0 109.034 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 12' ' ' VAL . 1.1 m -61.05 -63.97 1.11 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.322 -0.862 . . . . 0.0 109.397 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -72.02 -4.93 60.59 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 6.7 t80 -75.43 -63.63 1.24 Allowed 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.268 -1.136 . . . . 0.0 109.713 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.58 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 29.8 mt-10 -71.36 -37.64 71.64 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 11.5 t -60.64 -36.18 68.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.477 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 6.4 t60 -55.0 -57.52 11.36 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 176.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.64 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.61 -30.14 8.34 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.64 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -64.3 -46.62 82.8 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.525 -0.734 . . . . 0.0 109.549 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -48.8 74.5 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.625 -0.672 . . . . 0.0 109.991 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -62.46 -31.18 71.86 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.132 -0.98 . . . . 0.0 109.895 -179.454 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.2 t -77.71 -28.89 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.289 -0.882 . . . . 0.0 108.69 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.7 -31.51 65.06 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 1.015 ' CE2' HG21 ' A' ' 24' ' ' VAL . 3.0 t80 -74.76 -45.93 40.57 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.505 -0.747 . . . . 0.0 109.19 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -67.98 -27.59 66.71 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.85 -1.156 . . . . 0.0 109.784 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.5 mt-10 -74.83 -41.9 59.01 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.975 -1.078 . . . . 0.0 108.869 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.25 -69.23 0.65 Allowed 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.015 HG21 ' CE2' ' A' ' 20' ' ' PHE . 40.1 t -48.43 -43.53 12.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 CA-C-O 121.458 0.647 . . . . 0.0 109.454 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -72.36 -43.68 45.18 Favored Glycine 0 N--CA 1.483 1.829 0 N-CA-C 108.821 -1.711 . . . . 0.0 108.821 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t -44.16 -40.35 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.42 -1.047 . . . . 0.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 51.8 p30 -109.52 -4.39 16.3 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.127 -0.983 . . . . 0.0 110.582 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 120.92 -1.113 . . . . 0.0 109.404 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.45 -72.43 0.15 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.258 -0.901 . . . . 0.0 109.492 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -44.82 -32.4 1.55 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -61.6 2.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.19 -0.944 . . . . 0.0 109.638 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -64.79 -11.15 33.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.173 -0.954 . . . . 0.0 109.578 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.482 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 1.8 t60 -74.4 -69.32 0.46 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.513 -0.742 . . . . 0.0 109.007 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.491 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 23.7 m-20 -53.49 -43.04 67.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 109.505 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.4 -63.37 1.17 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.029 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -69.95 -5.26 51.87 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.3 t80 -72.02 -64.54 0.92 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.221 -1.164 . . . . 0.0 109.703 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -71.01 -38.17 72.63 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 9.3 t -60.46 -36.49 69.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 5.6 t60 -54.46 -57.27 12.0 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.643 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.5 -31.5 10.25 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.643 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -63.64 -47.88 79.51 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.388 -0.82 . . . . 0.0 109.77 -179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.52 78.19 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.554 -0.716 . . . . 0.0 110.175 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -64.22 -28.54 69.81 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 120.969 -1.082 . . . . 0.0 110.031 -179.419 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 17.1 t -79.28 -29.8 13.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -32.78 67.65 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.708 ' CE2' HG21 ' A' ' 24' ' ' VAL . 9.1 t80 -75.5 -44.52 43.42 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.36 -0.838 . . . . 0.0 109.336 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -66.95 -26.32 66.77 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.54 -1.35 . . . . 0.0 109.417 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.2 mt-10 -78.89 -57.59 3.67 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -63.3 -55.71 22.5 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.708 HG21 ' CE2' ' A' ' 20' ' ' PHE . 11.0 t -65.29 -62.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.792 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -52.27 -53.4 31.5 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 26.6 t -53.07 -57.91 8.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -1.147 . . . . 0.0 110.383 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' A' ' 24' ' ' VAL . 55.3 p30 -79.21 1.81 23.34 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.092 -1.005 . . . . 0.0 110.474 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.668 ' HG3' HG12 ' A' ' 24' ' ' VAL . 8.3 mmtt . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.921 -1.112 . . . . 0.0 109.414 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.8 -72.65 0.1 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 0.0 109.528 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 4' ' ' PHE . 5.5 pt-20 -45.02 -30.59 1.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.232 -0.917 . . . . 0.0 109.93 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' N ' ' HG3' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -60.84 -61.3 2.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.711 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.542 ' NH1' ' HG2' ' A' ' 5' ' ' ARG . 3.7 mtt-85 -67.37 -9.07 37.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.62 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 5.9 t60 -74.22 -69.81 0.43 Allowed 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.515 ' HA ' ' CB ' ' A' ' 10' ' ' TYR . 9.9 t70 -54.98 -38.94 68.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.414 -0.804 . . . . 0.0 109.044 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -64.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.94 . . . . 0.0 108.78 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 13' ' ' HIS . . . -70.8 -5.41 57.13 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CB ' ' HA ' ' A' ' 7' ' ' ASP . 11.3 t80 -72.91 -57.65 3.9 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.246 -1.15 . . . . 0.0 109.541 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.577 ' O ' ' ND1' ' A' ' 14' ' ' HIS . 2.4 mt-10 -73.55 -40.38 64.0 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.432 ' HA ' ' HB2' ' A' ' 15' ' ' GLN . 7.7 t -59.13 -35.57 58.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 10' ' ' TYR . 6.2 t60 -55.35 -56.95 14.17 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 176.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.637 ' CE1' ' NE2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -49.76 -30.15 8.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.496 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.637 ' NE2' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -64.86 -47.19 78.82 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.515 -0.741 . . . . 0.0 109.434 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.94 -48.99 74.35 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.597 -0.689 . . . . 0.0 109.926 -179.582 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -62.68 -30.61 71.52 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.191 -0.943 . . . . 0.0 109.856 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 16.3 t -77.81 -28.57 15.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.175 -0.953 . . . . 0.0 108.743 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -34.54 67.9 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.973 ' CE2' HG21 ' A' ' 24' ' ' VAL . 2.4 t80 -73.91 -39.12 64.06 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.481 -0.762 . . . . 0.0 108.992 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' O ' ' HA3' ' A' ' 25' ' ' GLY . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.728 -1.233 . . . . 0.0 109.532 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.7 mt-10 -77.19 -44.32 30.53 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.959 -1.088 . . . . 0.0 108.684 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -63.65 1.37 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.973 HG21 ' CE2' ' A' ' 20' ' ' PHE . 15.0 t -55.3 -47.86 77.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 CA-C-O 121.541 0.686 . . . . 0.0 109.843 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 21' ' ' ALA . . . -66.24 -46.93 75.66 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 6.8 t -45.37 -51.53 11.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -1.144 . . . . 0.0 108.942 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 49.2 p-10 -108.1 51.33 0.75 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.385 -0.822 . . . . 0.0 109.338 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.468 -179.879 . . . . . . . . 2 2 . 1 stop_ save_