data_1kuz_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 1kuz _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 ' 1' ' ' MET . . . . . 0.546 ' HB2' HG12 ' A' ' 4' ' ' VAL . 80.2 mmm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.912 0.387 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.802 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.95 -86.87 0.65 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.652 ' HE2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -97.86 -20.49 17.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.626 HG11 ' N ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER -40.2 -41.34 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.699 -178.458 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.626 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -40.13 -43.33 2.59 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.487 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -121.22 9.43 10.44 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.531 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.641 ' CD2' ' HE3' ' A' ' 3' ' ' LYS . 1.4 t80 -98.46 -44.15 6.61 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.591 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -59.26 -8.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.083 0.468 . . . . 0.0 111.232 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.559 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -24.65 10.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.805 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.547 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 3.4 t-20 -91.57 -87.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.059 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.559 HH21 HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.726 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.802 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.646 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -111.88 15.78 20.65 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.385 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -76.01 -11.35 59.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.716 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 4' ' ' VAL . 32.9 mm -83.53 26.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -120.21 -31.41 4.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.526 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -38.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.551 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -72.4 -23.8 61.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.019 0.437 . . . . 0.0 109.847 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' B' ' 22' ' ' GLU . 0.1 OUTLIER -74.89 -15.35 60.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.881 178.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -17.14 58.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.99 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.56 -28.29 10.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.972 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.551 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.3 mm-40 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.671 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.52 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 58.2 mmm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.718 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.05 -88.38 0.62 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.77 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.918 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.8 OUTLIER -92.0 -23.27 19.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.436 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.714 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.4 p -39.16 -41.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 113.075 -1.875 . . . . 0.0 112.877 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.636 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -36.31 -51.85 1.31 Allowed Glycine 0 CA--C 1.501 -0.819 0 C-N-CA 120.331 -0.937 . . . . 0.0 112.89 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' H ' ' HD1' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -120.87 14.37 11.6 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.018 178.334 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.724 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 5.6 t80 -98.54 -32.71 11.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.722 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -71.47 -10.1 59.24 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.423 0.63 . . . . 0.0 112.133 -178.01 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.722 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.6 ptm180 -110.5 -1.99 16.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.724 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.5 t30 -110.48 -86.03 0.54 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.559 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.631 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.918 ' HE2' ' HE2' ' A' ' 3' ' ' LYS . 5.2 tttt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.417 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.5 OUTLIER -93.08 13.16 21.71 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.622 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -77.22 -12.5 59.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 177.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.549 HG22 ' O ' ' B' ' 15' ' ' ILE . 41.9 mm -87.38 36.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 -36.01 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.419 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.95 -37.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.553 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -69.34 -20.39 63.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.147 0.499 . . . . 0.0 110.089 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.506 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.0 t0 -71.27 -23.66 62.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.117 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -3.64 29.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.1 -36.17 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.538 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.488 ' HB2' HG11 ' A' ' 4' ' ' VAL . 71.2 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.814 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.56 -90.41 0.58 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.568 -178.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.609 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -88.91 -21.44 23.61 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -44.54 -41.06 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.868 -178.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.576 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -41.72 -41.08 3.24 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.517 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.23 10.06 10.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.691 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -101.46 -47.21 4.75 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.546 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.64 -9.42 1.7 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.979 0.419 . . . . 0.0 111.833 -178.565 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.546 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.98 -23.23 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.109 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.422 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 7.3 t30 -88.18 -74.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.924 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.598 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 2.8 tpm_? . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.746 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.814 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.541 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.48 21.79 6.82 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.22 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -83.08 -7.96 59.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.152 178.346 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.526 HG22 ' O ' ' B' ' 15' ' ' ILE . 34.9 mm -83.55 29.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -120.45 -30.68 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.505 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.462 HG21 ' N ' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -120.01 -38.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.552 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -71.16 -27.8 63.81 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 110.159 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.598 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -72.64 -13.88 61.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.307 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -18.34 37.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.237 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.552 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.52 -21.3 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.908 179.258 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.468 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.6 mm-40 . . . . . 0 N--CA 1.45 -0.452 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.65 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.495 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 76.2 mmm . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.775 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.1 -90.02 0.59 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.499 -178.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.623 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -89.68 -23.96 21.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.235 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.681 HG12 ' N ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -39.72 -44.84 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.461 -1.7 . . . . 0.0 112.276 -179.109 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.681 ' N ' HG12 ' A' ' 4' ' ' VAL . . . -38.84 -44.72 1.96 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.879 -178.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -120.95 10.39 10.82 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.746 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.595 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -100.22 -43.45 6.29 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.574 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.98 -7.46 3.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -178.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.566 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -113.06 -17.39 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.595 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.3 t-20 -94.59 -77.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HD2' ' CG ' ' B' ' 19' ' ' ASP . 1.4 tpm_? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.711 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.775 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 9.6 tttt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.464 HD11 ' N ' ' B' ' 13' ' ' LEU . 2.5 mp -97.21 22.58 8.42 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.645 0.736 . . . . 0.0 109.736 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.3 pp -88.16 -12.68 43.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.852 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.662 HG22 ' O ' ' B' ' 15' ' ' ILE . 49.0 mm -80.4 8.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.014 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.509 HG21 ' N ' ' B' ' 17' ' ' ILE . 6.6 t -98.53 -30.71 12.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.509 ' N ' HG21 ' B' ' 16' ' ' THR . 0.4 OUTLIER -120.45 -38.8 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.568 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -68.45 -21.18 64.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.466 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 4.5 t0 -75.06 -17.81 60.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.222 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -73.33 -9.55 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.535 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.7 -36.53 4.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.464 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.568 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 12.4 mm-40 . . . . . 0 N--CA 1.448 -0.564 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.24 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB2' HG11 ' A' ' 4' ' ' VAL . 69.5 mmm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.849 0.357 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.783 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.22 -86.03 0.65 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -178.73 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.611 ' NZ ' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -98.88 -20.65 16.71 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.501 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.694 HG13 ' N ' ' A' ' 5' ' ' GLY . 2.2 p -39.6 -41.84 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 113.429 -1.714 . . . . 0.0 112.351 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.694 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -42.08 -43.45 4.46 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.411 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -120.73 10.37 10.97 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.486 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.483 ' CD2' HG23 ' B' ' 15' ' ' ILE . 1.3 t80 -97.68 -47.35 5.65 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.588 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -59.74 -7.24 1.49 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.11 0.481 . . . . 0.0 111.354 -178.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.575 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.95 -23.69 10.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 177.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.453 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 22.2 t-20 -90.88 -76.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.076 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.559 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.327 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.783 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.485 HD11 ' N ' ' B' ' 13' ' ' LEU . 4.5 mp -83.24 13.6 4.12 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.99 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.524 HD11 HD12 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -72.66 -18.84 61.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.757 177.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.674 HD11 HG22 ' A' ' 4' ' ' VAL . 26.1 mm -85.17 17.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.9 m -109.41 -32.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.1 -39.65 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.574 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -71.54 -23.5 61.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.889 0.376 . . . . 0.0 110.338 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.458 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 12.9 t0 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.894 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.22 -7.31 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.179 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.95 -29.97 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.722 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.574 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.5 mm-40 . . . . . 0 N--CA 1.451 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.368 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 76.8 mmm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.896 0.379 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.67 ' CH2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -117.52 -89.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 -178.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.655 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.5 OUTLIER -88.48 -26.51 22.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.314 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.65 HG11 ' N ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -39.45 -44.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.334 -1.757 . . . . 0.0 112.44 -178.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.65 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -38.36 -46.45 1.99 Allowed Glycine 0 CA--C 1.505 -0.564 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.85 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.66 10.48 11.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.452 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.567 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -99.48 -42.06 7.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.083 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.625 ' HA ' ' OD2' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -61.07 -9.62 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.816 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.58 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -20.25 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.483 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.7 t30 -101.43 -95.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.245 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.586 HH21 HG23 ' B' ' 15' ' ' ILE . 2.6 tpp180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.079 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.67 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.4 tttt . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.574 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -92.58 17.85 9.54 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.518 0.675 . . . . 0.0 109.809 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.7 OUTLIER -83.49 -26.64 30.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.704 -1.134 . . . . 0.0 108.773 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.739 HG22 ' O ' ' B' ' 15' ' ' ILE . 16.6 mm -72.97 -5.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.706 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -76.1 -36.63 58.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.066 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.453 HD11 ' O ' ' B' ' 17' ' ' ILE . 0.5 OUTLIER -120.87 -40.29 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.508 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.559 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.74 -14.04 62.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.265 -179.139 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.625 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 4.9 t0 -79.89 -24.31 41.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.06 -7.74 43.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.572 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.559 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -117.58 -29.3 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.468 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.527 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 1.4 mm-40 . . . . . 0 N--CA 1.449 -0.495 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.224 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.514 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 71.9 mmm . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.783 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.52 -88.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.003 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.618 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -92.77 -24.07 18.67 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.633 HG11 ' N ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER -39.78 -44.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.609 -179.144 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.633 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -37.33 -47.68 1.53 Allowed Glycine 0 CA--C 1.503 -0.694 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.81 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.86 11.09 11.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.485 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.553 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.1 t80 -97.53 -44.27 6.89 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.14 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.634 ' HE3' ' CB ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -59.51 -7.55 1.47 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.537 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.634 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.95 -24.7 9.8 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.661 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.5 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.5 t30 -86.65 -76.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.249 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HD2' ' OD2' ' B' ' 19' ' ' ASP . 2.0 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.813 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.783 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.498 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.4 OUTLIER -93.27 14.12 19.23 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.211 179.64 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -77.32 -12.06 59.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.321 177.496 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.51 HG22 ' O ' ' B' ' 15' ' ' ILE . 40.5 mm -88.14 33.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.315 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.7 m -120.39 -39.27 2.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.505 HD11 ' O ' ' B' ' 17' ' ' ILE . 0.5 OUTLIER -117.56 -36.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.78 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.561 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.67 -21.83 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.516 ' OD1' ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -77.4 -17.34 58.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.316 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -14.69 61.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.281 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.482 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.18 -34.17 6.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.145 179.607 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.561 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.0 mm-40 . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.984 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.489 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 82.0 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.814 0.34 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.823 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -112.3 -92.71 0.47 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.094 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.731 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.07 -15.96 32.71 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.696 0.76 . . . . 0.0 109.577 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.652 HG13 ' N ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -45.7 -43.31 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 CA-C-N 114.062 -1.426 . . . . 0.0 112.126 -178.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.652 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -37.59 -43.53 1.15 Allowed Glycine 0 CA--C 1.504 -0.656 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.878 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -121.29 9.27 10.37 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.135 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.643 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -101.26 -40.68 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.567 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.624 ' HA ' ' OD2' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -59.82 -9.34 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.526 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -112.92 -24.17 9.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.294 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.478 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 15.2 t-20 -94.7 -77.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' NE ' HG23 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.886 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.823 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.594 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -100.4 15.05 29.07 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.919 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.499 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.9 OUTLIER -79.45 -9.8 59.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.065 177.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.602 HG22 ' O ' ' B' ' 15' ' ' ILE . 40.3 mm -84.12 22.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.257 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 56.8 m -110.09 -32.2 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.576 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.18 -37.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.521 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -69.27 -23.41 63.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.624 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -78.94 -15.67 57.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.327 179.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -7.61 57.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.083 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -27.41 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.468 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.521 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.3 mm-40 . . . . . 0 N--CA 1.45 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.021 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.517 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 51.5 mmm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.829 0.347 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.802 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.35 -90.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.619 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.7 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -90.31 -22.96 21.3 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.18 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.664 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.7 p -39.61 -41.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 113.13 -1.85 . . . . 0.0 112.778 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.637 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -35.39 -50.81 0.96 Allowed Glycine 0 CA--C 1.501 -0.795 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.696 -178.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 12.3 p90 -120.84 11.37 11.1 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.069 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.764 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 2.6 t80 -96.67 -29.83 13.59 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.701 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.81 -6.85 47.59 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 121.634 0.73 . . . . 0.0 111.033 -178.794 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.701 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.3 ptm180 -119.82 11.83 11.96 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.764 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -120.82 -87.47 0.64 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.66 -178.046 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.619 HH21 ' HE2' ' A' ' 7' ' ' PHE . 1.1 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.774 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.802 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.488 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -99.73 11.0 40.36 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.966 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -14.2 60.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.735 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.542 HG22 ' O ' ' B' ' 15' ' ' ILE . 36.1 mm -80.79 1.13 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 m -81.86 -37.97 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.974 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.548 HD11 ' O ' ' B' ' 17' ' ' ILE . 0.4 OUTLIER -120.39 -38.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.451 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.35 -16.12 63.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.905 0.383 . . . . 0.0 110.934 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.465 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.1 t0 -78.74 -23.3 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.47 -7.95 52.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.66 -26.85 5.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.507 -179.059 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.431 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.1 mm-40 . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.621 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.466 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.792 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.38 -91.68 0.5 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.025 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.737 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.38 -16.09 31.8 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.795 0.807 . . . . 0.0 109.316 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.674 HG11 ' N ' ' A' ' 5' ' ' GLY . 1.4 p -45.93 -42.99 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.226 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.674 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -41.06 -40.73 2.48 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.689 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -121.21 9.25 10.41 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.135 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.654 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -103.29 -41.44 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.69 -9.31 3.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.159 0.504 . . . . 0.0 110.845 -179.296 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.89 -20.43 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.282 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 5.3 t-20 -97.02 -78.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.66 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.729 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.792 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.469 HD11 ' C ' ' B' ' 12' ' ' LYS . 1.4 mp -98.28 18.01 17.36 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.314 -0.955 . . . . 0.0 109.8 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -83.8 -11.59 56.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.495 -1.23 . . . . 0.0 108.509 177.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.685 HG22 ' O ' ' B' ' 15' ' ' ILE . 32.5 mm -84.63 8.31 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.618 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.538 HG22 ' N ' ' B' ' 17' ' ' ILE . 4.1 t -91.05 -30.43 16.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.983 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.538 ' N ' HG22 ' B' ' 16' ' ' THR . 0.3 OUTLIER -120.1 -40.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.577 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.565 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -64.16 -31.43 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 0.0 110.291 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.66 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 9.8 t0 -72.43 -22.77 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.937 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.52 -12.42 60.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.96 179.331 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.487 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -113.26 -35.43 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.254 179.65 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.565 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 21.4 mm-40 . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.277 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.482 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 81.8 mmm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.834 0.349 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.836 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.61 -89.49 0.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.721 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -90.48 -22.21 21.48 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 121.87 0.843 . . . . 0.0 109.244 179.042 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -39.73 -42.67 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 113.582 -1.645 . . . . 0.0 112.69 -177.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.614 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -36.55 -40.72 0.48 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.48 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.634 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -121.95 4.64 9.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.538 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.681 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -97.4 -40.06 8.89 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.518 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -56.95 -11.44 1.48 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.176 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.531 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -109.29 -20.28 13.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.681 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -96.7 -84.81 0.36 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.57 -1.65 . . . . 0.0 110.38 178.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.478 ' O ' HG23 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.651 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.836 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.638 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -114.38 19.7 16.03 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.476 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.549 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -83.64 -2.06 55.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.874 178.079 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 11' ' ' ARG . 27.6 mm -79.79 10.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 12.6 t -93.14 -30.03 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.5 HD11 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -120.16 -38.67 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.618 -179.699 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.55 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.58 -19.87 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 0.0 110.794 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -75.28 -15.84 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.159 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.14 -16.67 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.644 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.91 -26.63 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.042 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 5.5 mm-40 . . . . . 0 N--CA 1.441 -0.916 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.498 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.487 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 77.6 mmm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.779 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -114.27 -97.43 0.44 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -178.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.685 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.54 -17.99 49.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.85 0.833 . . . . 0.0 109.239 178.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.667 HG12 ' N ' ' A' ' 5' ' ' GLY . 2.0 p -45.26 -42.91 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.074 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.667 ' N ' HG12 ' A' ' 4' ' ' VAL . . . -36.71 -45.03 0.99 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.077 -178.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -121.18 7.43 10.25 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.925 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.596 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -96.23 -41.21 8.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.576 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.576 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.05 -11.14 7.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.064 0.459 . . . . 0.0 111.259 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.566 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -22.12 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.1 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.574 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 5.2 t-20 -89.22 -76.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.484 HH21 HG23 ' B' ' 15' ' ' ILE . 2.8 tpm_? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.831 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.779 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 1.4 tttt . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.633 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -113.52 8.78 17.86 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.731 178.66 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -76.26 -10.61 59.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.357 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.581 HG22 ' O ' ' B' ' 15' ' ' ILE . 45.8 mm -83.61 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.27 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -117.94 -35.52 3.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.353 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -114.45 -39.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.572 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.75 -22.99 62.34 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.545 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.478 ' HA ' ' HB2' ' B' ' 22' ' ' GLU . 0.1 OUTLIER -77.39 -14.68 59.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.789 179.082 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -7.77 54.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.887 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.93 -30.65 4.67 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.021 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.572 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.4 mm-40 . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.489 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.798 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.17 -88.28 0.61 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.772 -178.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.658 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -92.26 -22.58 19.69 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.904 0.859 . . . . 0.0 108.74 178.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.855 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -40.57 -49.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 CA-C-N 113.388 -1.733 . . . . 0.0 112.707 -178.102 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.678 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -35.31 -39.55 0.22 Allowed Glycine 0 CA--C 1.504 -0.609 0 C-N-CA 120.285 -0.959 . . . . 0.0 113.276 -178.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 7.3 p90 -121.4 6.78 10.12 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.92 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.739 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -97.65 -38.67 9.43 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -63.14 -27.97 69.74 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.006 -179.12 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.722 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -96.3 8.31 44.26 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.739 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 2.2 m-20 -116.17 -89.45 0.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.167 -1.833 . . . . 0.0 111.423 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.538 HH21 ' HE2' ' A' ' 7' ' ' PHE . 1.7 tpm_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.848 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.798 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 10.9 tttt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.617 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -115.45 8.1 15.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.402 0.62 . . . . 0.0 109.669 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -15.48 62.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 4' ' ' VAL . 29.0 mm -77.61 10.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.699 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m -96.34 -41.04 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.063 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.24 -37.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.715 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.706 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.46 -25.97 67.74 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.96 0.409 . . . . 0.0 110.376 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.548 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.3 t0 -70.34 -21.14 62.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.236 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -7.0 58.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.775 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.6 -31.43 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.622 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.498 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 1.4 mm-40 . . . . . 0 N--CA 1.446 -0.639 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.458 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 89.1 mmm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.914 0.388 . . . . 0.0 111.344 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.786 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.43 -86.85 0.65 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.083 -178.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.603 ' HE2' ' HG2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -94.06 -22.14 18.7 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.838 0.828 . . . . 0.0 108.879 178.122 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.631 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -39.99 -49.19 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.611 -178.627 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.596 ' N ' HG12 ' A' ' 4' ' ' VAL . . . -43.81 -36.47 3.63 Favored Glycine 0 CA--C 1.501 -0.828 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.852 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -118.68 10.8 12.58 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.18 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -113.04 -47.2 3.05 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.33 -13.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.639 -179.412 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.601 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.58 -18.32 13.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.474 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 9.5 t30 -97.76 -85.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.383 -0.818 . . . . 0.0 110.794 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.786 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.538 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -100.47 9.06 43.11 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.011 179.209 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -70.85 -12.56 61.61 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.239 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.522 HG22 ' O ' ' B' ' 15' ' ' ILE . 17.7 mm -70.84 -1.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.523 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -95.73 -29.1 14.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.865 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.474 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 1.2 mp -120.17 -58.04 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.888 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -52.47 -19.31 2.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.225 0.536 . . . . 0.0 110.391 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.483 ' OD2' ' HB2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -74.93 -38.2 61.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.314 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -62.98 -15.61 56.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.888 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.99 -28.54 10.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.54 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.9 mm-40 . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.515 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 53.6 mmm . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.803 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.99 -88.95 0.61 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.528 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.753 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -91.96 -22.75 19.84 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.576 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.747 HG11 ' N ' ' A' ' 5' ' ' GLY . 2.2 p -39.59 -45.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.528 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.747 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -44.09 -41.94 6.44 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.604 -178.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -121.02 13.93 11.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.763 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.571 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -106.77 -45.28 4.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -179.268 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.582 ' HE2' ' CB ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -59.74 -5.0 0.78 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.133 0.492 . . . . 0.0 111.258 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.582 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.24 -22.72 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.264 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 13.9 t30 -89.73 -75.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.532 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 2.7 tpm_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.713 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.803 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.3 tttt . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.537 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -102.24 28.02 6.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.684 0.754 . . . . 0.0 109.614 178.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.818 ' HB2' ' HE1' ' B' ' 18' ' ' HIS . 3.8 pp -92.55 -17.67 24.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.101 178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.624 HG22 ' O ' ' B' ' 15' ' ' ILE . 16.7 mm -66.54 7.13 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.101 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.496 ' H ' ' C ' ' B' ' 14' ' ' LEU . 0.3 OUTLIER -102.33 -2.86 28.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.695 HG21 ' N ' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -120.45 -57.77 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.818 ' HE1' ' HB2' ' B' ' 14' ' ' LEU . 19.9 m80 -58.36 -37.14 74.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 122.027 0.918 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.528 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 2.3 t0 -65.0 4.58 0.43 Allowed 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.848 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.556 ' H ' ' C ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.32 -14.62 8.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.066 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.486 ' HG3' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -117.39 -52.65 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.923 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.623 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.392 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.515 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 61.5 mmm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.72 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.11 -92.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 -179.103 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.72 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.65 -18.63 29.14 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 109.065 178.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.676 HG12 ' N ' ' A' ' 5' ' ' GLY . 1.6 p -44.75 -43.73 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.653 -1.612 . . . . 0.0 112.74 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.676 ' N ' HG12 ' A' ' 4' ' ' VAL . . . -38.43 -44.75 1.76 Allowed Glycine 0 CA--C 1.503 -0.704 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.914 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.92 9.38 10.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.628 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.781 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -99.48 -33.36 10.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.246 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.577 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -69.7 -11.07 60.56 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.251 0.548 . . . . 0.0 111.12 -178.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.507 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.68 -1.01 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 176.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.781 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -106.22 -88.9 0.44 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.604 -2.089 . . . . 0.0 111.567 -178.601 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.442 ' HD2' ' CG ' ' B' ' 19' ' ' ASP . 2.9 tpm_? . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.746 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.696 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 5.4 tttm . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.553 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -96.15 14.2 24.77 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.445 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.533 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.7 pp -81.62 -16.04 52.76 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.589 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.705 HG13 ' HZ3' ' A' ' 3' ' ' LYS . 21.1 mm -80.1 -4.09 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.691 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -31.47 35.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.242 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.66 -41.17 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.759 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.85 -16.74 64.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.797 0.332 . . . . 0.0 111.108 -179.185 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.497 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.7 t0 -76.7 -23.89 53.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.155 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -10.88 60.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.759 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.16 -26.35 8.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.514 ' OE2' ' HG2' ' A' ' 8' ' ' LYS . 3.1 mm-40 . . . . . 0 N--CA 1.448 -0.532 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 70.7 mmm . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.915 0.388 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.818 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.5 -90.65 0.57 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.58 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.8 OUTLIER -88.4 -22.85 23.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.498 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.837 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -41.36 -51.02 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 CA-C-N 113.625 -1.625 . . . . 0.0 112.543 -178.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.661 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -34.08 -41.37 0.2 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.29 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -121.32 7.03 10.15 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.658 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -95.18 -55.72 2.97 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.837 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -46.95 -20.84 0.16 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.226 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.737 ' HG3' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -90.26 -49.68 6.41 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.429 177.215 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 9.2 t30 -68.7 -81.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.771 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.559 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.628 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.818 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.613 HD11 ' O ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -113.85 26.07 10.66 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.708 178.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.56 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.6 OUTLIER -89.22 -8.0 54.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.74 177.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.494 HG22 ' O ' ' B' ' 15' ' ' ILE . 33.5 mm -84.5 39.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.657 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.422 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -114.65 -59.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.271 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.607 HG21 ' N ' ' B' ' 18' ' ' HIS . 8.8 tp -98.02 -34.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.607 ' N ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -63.37 -33.57 75.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.559 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -75.56 -18.65 59.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.673 178.745 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' B' ' 16' ' ' THR . 0.0 OUTLIER -70.42 -11.18 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.019 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.512 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -116.85 -33.73 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.4 mm-40 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.068 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.476 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 43.1 mmm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.794 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.32 -93.14 0.52 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -178.63 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.767 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -83.97 -24.57 30.57 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.337 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.703 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.6 p -40.73 -40.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.236 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.615 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -35.23 -50.78 0.91 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.785 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -120.77 9.66 10.78 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.241 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.707 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.6 t80 -92.52 -34.75 13.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.712 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -70.23 -7.86 45.49 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.194 -178.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.712 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 2.9 ptm180 -115.75 -2.37 12.43 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.707 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 14.9 t30 -106.72 -81.45 0.55 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.255 -1.793 . . . . 0.0 111.288 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.529 HH21 ' HE2' ' A' ' 7' ' ' PHE . 1.4 tpm_? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.83 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.794 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.0 tttm . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.485 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.4 OUTLIER -92.82 13.45 20.32 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.754 179.084 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.42 -11.76 59.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.552 HG22 ' O ' ' B' ' 15' ' ' ILE . 22.7 mm -80.57 9.4 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -88.49 -41.0 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.515 HG21 ' N ' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -119.42 -40.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.749 -179.772 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.695 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -60.35 -28.65 68.35 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.153 -179.681 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.513 ' CG ' ' HD2' ' A' ' 11' ' ' ARG . 6.4 t0 -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -19.69 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.236 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -88.88 -36.3 16.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.492 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.437 -1.117 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.603 178.434 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.495 ' HB2' HG12 ' A' ' 4' ' ' VAL . 79.2 mmm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.954 0.407 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.805 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.39 -84.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.594 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.676 ' NZ ' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -101.84 -15.39 16.92 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.569 178.668 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.765 HG11 ' N ' ' A' ' 5' ' ' GLY . 2.2 p -43.16 -46.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.948 0 CA-C-N 113.862 -1.517 . . . . 0.0 112.265 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.765 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -45.7 -33.35 4.73 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.188 -1.006 . . . . 0.0 112.184 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.66 10.08 10.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.398 178.38 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.491 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -105.97 -43.07 4.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.68 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -64.88 -11.23 35.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.24 0.543 . . . . 0.0 110.854 -179.147 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.587 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -112.1 -6.56 14.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.899 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 59.3 t-20 -107.28 -78.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.021 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' HD2' ' OD2' ' B' ' 19' ' ' ASP . 2.4 tpm_? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.937 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.805 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.508 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -85.26 19.4 2.27 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.781 -0.767 . . . . 0.0 110.323 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.491 HD22 ' CA ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -79.69 -15.34 57.73 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.739 177.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.504 ' HA ' ' OD1' ' B' ' 19' ' ' ASP . 22.3 mm -75.64 2.46 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.625 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.82 -24.62 13.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.586 178.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.574 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 1.2 mm -120.39 -63.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.227 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.556 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -51.9 -19.26 1.66 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.108 0.48 . . . . 0.0 110.61 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER -72.23 -42.12 66.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.214 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.574 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -56.66 -21.78 29.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.556 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.14 -27.64 14.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.822 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.6 mm-40 . . . . . 0 N--CA 1.445 -0.712 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.888 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.481 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 74.8 mmm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.807 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.57 -88.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.352 -178.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.582 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -93.01 -21.4 19.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.058 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.694 HG22 HD11 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -40.13 -41.19 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 CA-C-N 113.386 -1.734 . . . . 0.0 112.362 -179.049 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.551 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -36.38 -48.22 1.18 Allowed Glycine 0 CA--C 1.504 -0.631 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.927 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -120.95 9.66 10.66 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.253 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.552 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.9 t80 -95.91 -42.08 8.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.358 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.637 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -61.98 -8.84 5.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.148 0.499 . . . . 0.0 111.521 -178.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.637 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -19.69 13.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.539 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.552 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 19.6 t30 -96.73 -88.57 0.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.387 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' NH2' ' HB ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.701 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.807 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.554 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.23 14.12 21.23 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.471 178.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.55 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -75.28 -15.43 60.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.71 177.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.694 HD11 HG22 ' A' ' 4' ' ' VAL . 11.1 mm -78.79 16.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.408 ' H ' ' C ' ' B' ' 14' ' ' LEU . 51.5 m -94.36 -47.18 6.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.561 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.541 HD11 ' O ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -117.09 -38.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.232 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.725 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -58.35 -23.25 56.28 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 109.796 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . 0.527 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.8 t0 -76.54 -34.13 58.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.554 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -23.75 66.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.531 0.681 . . . . 0.0 109.328 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.725 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -90.42 -37.57 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.416 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.436 -1.152 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.514 179.328 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.546 ' HB2' HG12 ' A' ' 4' ' ' VAL . 80.2 mmm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.912 0.387 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.802 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.95 -86.87 0.65 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.652 ' HE2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -97.86 -20.49 17.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.626 HG11 ' N ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER -40.2 -41.34 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.699 -178.458 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.626 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -40.13 -43.33 2.59 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.487 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -121.22 9.43 10.44 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.531 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.641 ' CD2' ' HE3' ' A' ' 3' ' ' LYS . 1.4 t80 -98.46 -44.15 6.61 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.591 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -59.26 -8.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.083 0.468 . . . . 0.0 111.232 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -24.65 10.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.805 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.547 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 3.4 t-20 -91.57 -87.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.059 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.559 HH21 HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.726 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.802 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.646 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -111.88 15.78 20.65 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.385 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -76.01 -11.35 59.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.716 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 4' ' ' VAL . 32.9 mm -83.53 26.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -120.21 -31.41 4.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.526 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -38.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.551 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -72.4 -23.8 61.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.019 0.437 . . . . 0.0 109.847 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.423 ' HA ' ' HB2' ' B' ' 22' ' ' GLU . 0.1 OUTLIER -74.89 -15.35 60.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.881 178.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -17.14 58.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.99 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.56 -28.29 10.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.972 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.551 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.3 mm-40 -70.74 -2.01 13.27 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.671 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.548 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 48.0 t80 -115.09 -20.35 10.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.534 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.742 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.85 47.57 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.187 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -71.04 -59.69 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.846 0.832 . . . . 0.0 108.791 178.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.499 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 11.5 t80 -113.73 -13.11 12.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.035 -1.439 . . . . 0.0 107.319 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.742 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.6 mm-40 -65.19 -25.02 67.54 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 113.706 -1.588 . . . . 0.0 110.516 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.451 ' HB3' ' HB2' ' B' ' 24' ' ' ALA . 17.4 pt-20 -79.3 -3.81 47.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.325 0.584 . . . . 0.0 109.666 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.42 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 0.5 OUTLIER -121.7 -8.97 8.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.093 179.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.437 ' HD2' ' OE1' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -106.53 -50.3 3.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.643 -178.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.716 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -104.12 9.97 36.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.515 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -111.2 -59.86 1.91 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.145 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.48 -20.81 0.79 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.237 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.716 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 14.1 ptpt -56.15 -57.69 11.09 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.366 0.603 . . . . 0.0 109.767 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.683 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -96.66 -3.2 43.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.606 179.227 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.63 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.953 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 58.2 mmm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.718 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.05 -88.38 0.62 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.77 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.918 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.8 OUTLIER -92.0 -23.27 19.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.436 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.714 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.4 p -39.16 -41.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 113.075 -1.875 . . . . 0.0 112.877 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.636 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -36.31 -51.85 1.31 Allowed Glycine 0 CA--C 1.501 -0.819 0 C-N-CA 120.331 -0.937 . . . . 0.0 112.89 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' H ' ' HD1' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -120.87 14.37 11.6 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.018 178.334 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.724 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 5.6 t80 -98.54 -32.71 11.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.722 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -71.47 -10.1 59.24 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.423 0.63 . . . . 0.0 112.133 -178.01 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.722 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.6 ptm180 -110.5 -1.99 16.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.724 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.5 t30 -110.48 -86.03 0.54 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.559 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.631 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.918 ' HE2' ' HE2' ' A' ' 3' ' ' LYS . 5.2 tttt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.417 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.5 OUTLIER -93.08 13.16 21.71 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.622 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -77.22 -12.5 59.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 177.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.549 HG22 ' O ' ' B' ' 15' ' ' ILE . 41.9 mm -87.38 36.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 -36.01 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.419 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.95 -37.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.553 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -69.34 -20.39 63.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.147 0.499 . . . . 0.0 110.089 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.506 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.0 t0 -71.27 -23.66 62.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.117 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -3.64 29.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.553 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.1 -36.17 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.538 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -61.48 -14.87 32.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.904 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -95.84 -46.04 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.798 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.69 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.37 41.99 0.86 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.28 0.562 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -71.84 -59.95 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.175 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -115.1 -13.05 11.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.172 -1.377 . . . . 0.0 107.765 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.69 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 1.6 mm-40 -61.44 -19.83 62.42 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.788 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -78.55 -2.66 39.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.247 0.546 . . . . 0.0 109.93 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -120.29 -23.94 6.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.188 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -54.89 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.843 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.524 ' HA ' ' HZ3' ' B' ' 34' ' ' LYS . . . -76.82 1.28 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -106.64 -62.33 1.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.95 -21.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.583 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.642 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 4.1 ptpt -56.48 -57.53 11.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.355 0.598 . . . . 0.0 109.678 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.642 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -95.92 -2.37 47.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.794 179.193 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.623 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.066 -179.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HB2' HG11 ' A' ' 4' ' ' VAL . 71.2 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.814 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.56 -90.41 0.58 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.568 -178.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.609 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -88.91 -21.44 23.61 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -44.54 -41.06 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.868 -178.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.576 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -41.72 -41.08 3.24 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.517 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.23 10.06 10.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.691 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -101.46 -47.21 4.75 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.64 -9.42 1.7 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.979 0.419 . . . . 0.0 111.833 -178.565 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.546 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.98 -23.23 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.109 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.422 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 7.3 t30 -88.18 -74.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.924 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.598 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 2.8 tpm_? . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.746 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.814 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.541 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.48 21.79 6.82 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.22 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -83.08 -7.96 59.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.152 178.346 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.526 HG22 ' O ' ' B' ' 15' ' ' ILE . 34.9 mm -83.55 29.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -120.45 -30.68 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.505 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.462 HG21 ' N ' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -120.01 -38.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.552 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -71.16 -27.8 63.81 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 110.159 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.598 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -72.64 -13.88 61.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.307 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -18.34 37.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.237 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.552 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.52 -21.3 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.908 179.258 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.468 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.6 mm-40 -75.59 5.13 6.42 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.65 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 44.0 t80 -120.24 -12.93 8.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.345 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.763 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.37 51.86 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.481 0.658 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.487 ' HD2' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -70.67 -61.59 1.71 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.865 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' B' ' 30' ' ' ARG . 12.8 t80 -114.84 -15.25 11.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.484 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.763 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 17.7 mm-40 -63.26 -24.64 67.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.326 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.723 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 16.4 pt-20 -75.42 -8.64 57.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.723 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 1.2 mm-40 -120.2 -5.45 9.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.733 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.584 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -105.14 -27.67 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.471 -178.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.419 ' C ' ' HG2' ' B' ' 34' ' ' LYS . . . -118.8 18.49 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.225 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -110.24 -64.98 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.685 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.6 -23.48 0.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.265 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.758 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.0 OUTLIER -53.38 -57.47 10.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.246 0.546 . . . . 0.0 109.82 178.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.758 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -97.03 -3.04 42.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.321 178.881 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.581 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.055 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.495 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 76.2 mmm . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.775 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.1 -90.02 0.59 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.499 -178.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.623 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -89.68 -23.96 21.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.235 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.681 HG12 ' N ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -39.72 -44.84 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.461 -1.7 . . . . 0.0 112.276 -179.109 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.681 ' N ' HG12 ' A' ' 4' ' ' VAL . . . -38.84 -44.72 1.96 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.879 -178.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -120.95 10.39 10.82 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.746 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.595 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -100.22 -43.45 6.29 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.574 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.98 -7.46 3.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -178.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.566 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -113.06 -17.39 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.595 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.3 t-20 -94.59 -77.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HD2' ' CG ' ' B' ' 19' ' ' ASP . 1.4 tpm_? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.711 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.775 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 9.6 tttt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.464 HD11 ' N ' ' B' ' 13' ' ' LEU . 2.5 mp -97.21 22.58 8.42 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.645 0.736 . . . . 0.0 109.736 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.3 pp -88.16 -12.68 43.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.852 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.662 HG22 ' O ' ' B' ' 15' ' ' ILE . 49.0 mm -80.4 8.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.014 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.509 HG21 ' N ' ' B' ' 17' ' ' ILE . 6.6 t -98.53 -30.71 12.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.509 ' N ' HG21 ' B' ' 16' ' ' THR . 0.4 OUTLIER -120.45 -38.8 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.568 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -68.45 -21.18 64.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.466 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 4.5 t0 -75.06 -17.81 60.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.222 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -73.33 -9.55 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.535 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.7 -36.53 4.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.464 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.568 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 12.4 mm-40 -60.84 -15.3 28.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.24 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 62.9 t80 -101.75 -50.49 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.907 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.583 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -79.48 37.3 0.33 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.159 0.504 . . . . 0.0 111.363 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.449 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -72.77 -57.52 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.932 0.872 . . . . 0.0 108.691 178.598 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -117.22 -17.68 10.15 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.861 -1.518 . . . . 0.0 108.029 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.583 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 7.2 mm-40 -53.71 -31.31 47.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.117 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 3.3 pt-20 -56.31 -37.94 70.6 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 121.116 0.484 . . . . 0.0 109.756 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.563 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 2.6 tt0 -85.05 -33.78 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.154 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -14.21 61.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.481 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.659 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -115.86 0.88 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.405 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -93.0 -64.27 1.12 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.51 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.1 -16.51 0.48 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.761 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.659 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -67.66 -45.55 74.94 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.997 179.527 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.55 ' HE1' ' HD2' ' B' ' 32' ' ' ARG . 0.8 OUTLIER -103.36 -5.67 22.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.147 179.415 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.584 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.01 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.506 ' HB2' HG11 ' A' ' 4' ' ' VAL . 69.5 mmm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.849 0.357 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.783 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.22 -86.03 0.65 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -178.73 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.611 ' NZ ' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -98.88 -20.65 16.71 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.501 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.694 HG13 ' N ' ' A' ' 5' ' ' GLY . 2.2 p -39.6 -41.84 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 113.429 -1.714 . . . . 0.0 112.351 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.694 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -42.08 -43.45 4.46 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.411 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -120.73 10.37 10.97 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.486 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' CD2' HG23 ' B' ' 15' ' ' ILE . 1.3 t80 -97.68 -47.35 5.65 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.588 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -59.74 -7.24 1.49 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.11 0.481 . . . . 0.0 111.354 -178.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.575 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.95 -23.69 10.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 177.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.453 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 22.2 t-20 -90.88 -76.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.076 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.559 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.327 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.783 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.485 HD11 ' N ' ' B' ' 13' ' ' LEU . 4.5 mp -83.24 13.6 4.12 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.99 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.524 HD11 HD12 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -72.66 -18.84 61.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.757 177.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.674 HD11 HG22 ' A' ' 4' ' ' VAL . 26.1 mm -85.17 17.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.9 m -109.41 -32.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.1 -39.65 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.574 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -71.54 -23.5 61.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.889 0.376 . . . . 0.0 110.338 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.458 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 12.9 t0 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.894 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.22 -7.31 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.179 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.95 -29.97 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.722 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.574 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.5 mm-40 -67.73 -4.48 12.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.368 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -120.06 -15.1 8.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.742 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.84 47.06 1.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.471 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -71.95 -61.42 1.79 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.549 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.432 ' N ' ' HD3' ' B' ' 25' ' ' LYS . 20.5 t80 -109.35 -18.12 13.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.742 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 5.4 mm-40 -59.72 -35.59 74.84 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.01 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 20.3 pt-20 -57.86 -27.53 63.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.011 0.434 . . . . 0.0 110.041 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.526 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -89.94 -38.64 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.901 179.244 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -14.0 62.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.31 0.576 . . . . 0.0 109.759 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.593 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.12 -0.33 16.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.525 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.587 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -92.73 -60.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.342 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.15 -18.48 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.347 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.593 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -66.81 -55.32 15.41 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.123 179.353 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.453 ' NE1' ' HA ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -92.53 -5.16 52.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.569 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.959 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 76.8 mmm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.896 0.379 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.67 ' CH2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -117.52 -89.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 -178.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.655 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.5 OUTLIER -88.48 -26.51 22.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.314 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.65 HG11 ' N ' ' A' ' 5' ' ' GLY . 0.5 OUTLIER -39.45 -44.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.334 -1.757 . . . . 0.0 112.44 -178.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.65 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -38.36 -46.45 1.99 Allowed Glycine 0 CA--C 1.505 -0.564 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.85 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.66 10.48 11.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.452 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.567 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -99.48 -42.06 7.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.083 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.625 ' HA ' ' OD2' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -61.07 -9.62 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.816 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.58 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -20.25 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.483 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.7 t30 -101.43 -95.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.245 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.586 HH21 HG23 ' B' ' 15' ' ' ILE . 2.6 tpp180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.079 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.67 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.4 tttt . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.574 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -92.58 17.85 9.54 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.518 0.675 . . . . 0.0 109.809 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.7 OUTLIER -83.49 -26.64 30.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.704 -1.134 . . . . 0.0 108.773 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.739 HG22 ' O ' ' B' ' 15' ' ' ILE . 16.6 mm -72.97 -5.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.706 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -76.1 -36.63 58.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.066 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.453 HD11 ' O ' ' B' ' 17' ' ' ILE . 0.5 OUTLIER -120.87 -40.29 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.508 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.559 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.74 -14.04 62.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.265 -179.139 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.625 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 4.9 t0 -79.89 -24.31 41.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.06 -7.74 43.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.572 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.559 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -117.58 -29.3 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.468 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.527 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 1.4 mm-40 -64.83 -1.15 1.79 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.224 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' B' ' 21' ' ' LYS . 91.1 t80 -116.19 -44.38 2.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.735 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.86 48.21 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.341 0.591 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.503 ' CG ' ' H ' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -72.51 -56.72 4.95 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.503 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -121.49 -12.7 8.52 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.497 -1.683 . . . . 0.0 107.917 178.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.735 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.3 mm-40 -62.32 -29.87 70.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 113.933 -1.485 . . . . 0.0 110.624 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 11.8 pt-20 -75.7 -3.83 36.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.372 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -120.32 -10.98 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.44 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.435 ' HB2' ' CE1' ' B' ' 26' ' ' PHE . 1.0 OUTLIER -101.83 -24.26 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.097 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.635 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.06 3.86 18.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.004 0.431 . . . . 0.0 110.611 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -99.16 -58.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.209 179.217 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.74 -17.08 0.8 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.175 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.635 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -66.73 -49.23 66.67 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 120.151 -0.62 . . . . 0.0 109.938 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.566 ' HE1' ' HE ' ' B' ' 32' ' ' ARG . 0.8 OUTLIER -101.17 -2.6 30.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.443 179.496 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.019 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.514 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 71.9 mmm . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.783 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.52 -88.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.003 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.618 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -92.77 -24.07 18.67 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.633 HG11 ' N ' ' A' ' 5' ' ' GLY . 0.8 OUTLIER -39.78 -44.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.609 -179.144 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.633 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -37.33 -47.68 1.53 Allowed Glycine 0 CA--C 1.503 -0.694 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.81 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.86 11.09 11.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.485 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.553 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.1 t80 -97.53 -44.27 6.89 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.14 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.634 ' HE3' ' CB ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -59.51 -7.55 1.47 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.537 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.634 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.95 -24.7 9.8 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.661 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.5 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.5 t30 -86.65 -76.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.249 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HD2' ' OD2' ' B' ' 19' ' ' ASP . 2.0 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.813 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.783 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.498 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.4 OUTLIER -93.27 14.12 19.23 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.211 179.64 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -77.32 -12.06 59.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.321 177.496 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.51 HG22 ' O ' ' B' ' 15' ' ' ILE . 40.5 mm -88.14 33.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.315 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.7 m -120.39 -39.27 2.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.505 HD11 ' O ' ' B' ' 17' ' ' ILE . 0.5 OUTLIER -117.56 -36.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.78 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.561 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.67 -21.83 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.516 ' OD1' ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -77.4 -17.34 58.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.316 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -14.69 61.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.281 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.482 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.18 -34.17 6.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.145 179.607 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.561 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.0 mm-40 -66.39 -3.81 6.83 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.984 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.707 ' HA ' ' HZ1' ' B' ' 25' ' ' LYS . 85.6 t80 -119.38 -30.93 4.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.989 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' B' ' 28' ' ' GLU . . . -79.82 51.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.455 0.645 . . . . 0.0 110.755 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.707 ' HZ1' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -67.41 -58.12 5.34 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.302 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.507 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -122.08 -15.58 7.72 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 113.246 -1.797 . . . . 0.0 108.327 178.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.643 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 44.0 mm-40 -61.68 -25.35 67.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.511 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.683 ' HB3' ' HB2' ' B' ' 24' ' ' ALA . 8.6 pt-20 -74.14 -2.17 23.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.78 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.527 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 4.8 mm-40 -119.86 -23.65 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 -21.09 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.565 ' O ' ' HD2' ' B' ' 34' ' ' LYS . . . -112.52 12.85 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.06 0.457 . . . . 0.0 110.719 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.663 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -111.37 -59.24 2.0 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.24 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.85 -17.55 2.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.589 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.565 ' HD2' ' O ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -63.94 -48.66 75.67 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.973 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.583 ' HE1' ' HE ' ' B' ' 32' ' ' ARG . 0.9 OUTLIER -101.38 -3.61 28.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.411 0.624 . . . . 0.0 109.771 178.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.663 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.966 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.489 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 82.0 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.814 0.34 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.823 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -112.3 -92.71 0.47 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.094 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.731 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.07 -15.96 32.71 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.696 0.76 . . . . 0.0 109.577 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.652 HG13 ' N ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -45.7 -43.31 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 CA-C-N 114.062 -1.426 . . . . 0.0 112.126 -178.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.652 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -37.59 -43.53 1.15 Allowed Glycine 0 CA--C 1.504 -0.656 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.878 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -121.29 9.27 10.37 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.135 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.643 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -101.26 -40.68 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.567 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.624 ' HA ' ' OD2' ' B' ' 19' ' ' ASP . 0.0 OUTLIER -59.82 -9.34 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -112.92 -24.17 9.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.294 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.478 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 15.2 t-20 -94.7 -77.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' NE ' HG23 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.886 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.823 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.594 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -100.4 15.05 29.07 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.919 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.499 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.9 OUTLIER -79.45 -9.8 59.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.065 177.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.602 HG22 ' O ' ' B' ' 15' ' ' ILE . 40.3 mm -84.12 22.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.257 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 56.8 m -110.09 -32.2 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.576 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.18 -37.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.521 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -69.27 -23.41 63.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.624 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -78.94 -15.67 57.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.327 179.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -7.61 57.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.083 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -27.41 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.468 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.521 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.3 mm-40 -64.9 -16.09 62.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.021 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 72.2 t80 -97.87 -40.97 8.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.72 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.58 40.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.151 0.5 . . . . 0.0 110.936 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -71.25 -60.26 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.851 0.834 . . . . 0.0 108.838 178.745 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -111.88 -14.99 13.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.418 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.72 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.0 mm-40 -63.55 -29.38 70.65 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 113.791 -1.549 . . . . 0.0 110.296 179.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.566 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 17.2 pt-20 -75.1 -7.01 52.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.368 0.604 . . . . 0.0 109.938 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.73 -6.29 9.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.382 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.22 -50.37 3.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.82 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.402 ' HA ' ' CE ' ' B' ' 34' ' ' LYS . . . -115.23 12.12 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.631 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -108.24 -62.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.499 179.392 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.27 -23.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.485 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.613 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.5 OUTLIER -54.28 -56.36 19.18 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 109.743 179.037 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.613 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -97.8 -2.04 41.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.475 179.003 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.591 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.881 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 51.5 mmm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.829 0.347 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.802 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.35 -90.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.619 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.7 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -90.31 -22.96 21.3 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.18 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.664 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.7 p -39.61 -41.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 113.13 -1.85 . . . . 0.0 112.778 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.637 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -35.39 -50.81 0.96 Allowed Glycine 0 CA--C 1.501 -0.795 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.696 -178.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 12.3 p90 -120.84 11.37 11.1 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.069 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.764 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 2.6 t80 -96.67 -29.83 13.59 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.701 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.81 -6.85 47.59 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 121.634 0.73 . . . . 0.0 111.033 -178.794 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.701 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.3 ptm180 -119.82 11.83 11.96 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.764 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -120.82 -87.47 0.64 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.66 -178.046 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.619 HH21 ' HE2' ' A' ' 7' ' ' PHE . 1.1 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.774 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.802 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.488 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -99.73 11.0 40.36 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.966 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -14.2 60.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.735 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.542 HG22 ' O ' ' B' ' 15' ' ' ILE . 36.1 mm -80.79 1.13 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 m -81.86 -37.97 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.974 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.548 HD11 ' O ' ' B' ' 17' ' ' ILE . 0.4 OUTLIER -120.39 -38.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.451 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.35 -16.12 63.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.905 0.383 . . . . 0.0 110.934 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.465 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.1 t0 -78.74 -23.3 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.47 -7.95 52.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.66 -26.85 5.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.507 -179.059 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.431 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.1 mm-40 -64.47 -0.49 1.35 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.621 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' B' ' 21' ' ' LYS . 60.2 t80 -113.97 -48.0 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.013 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.531 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.32 48.83 1.55 Allowed 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.543 0.687 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.526 ' CG ' ' H ' ' B' ' 26' ' ' PHE . 4.9 ptmt -79.08 -60.03 2.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.679 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -123.51 -8.07 8.03 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 113.709 -1.587 . . . . 0.0 108.898 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.531 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.0 mm-40 -56.43 -36.74 69.32 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.795 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.76 -13.62 61.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -110.8 -12.38 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.426 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.621 ' HB2' ' CZ ' ' B' ' 26' ' ' PHE . 1.5 tpt180 -90.08 -53.47 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.444 ' C ' ' HG2' ' B' ' 34' ' ' LYS . . . -77.85 7.43 5.91 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.677 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.622 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -103.32 -63.58 1.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.313 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.29 -23.35 0.87 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.765 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.681 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.2 OUTLIER -55.66 -57.27 12.68 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.307 0.575 . . . . 0.0 109.783 179.086 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.681 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -95.02 -2.99 49.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.697 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.622 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.916 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.792 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.38 -91.68 0.5 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.025 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.737 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.38 -16.09 31.8 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.795 0.807 . . . . 0.0 109.316 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.674 HG11 ' N ' ' A' ' 5' ' ' GLY . 1.4 p -45.93 -42.99 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.226 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.674 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -41.06 -40.73 2.48 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.689 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -121.21 9.25 10.41 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.135 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.654 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -103.29 -41.44 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.69 -9.31 3.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.159 0.504 . . . . 0.0 110.845 -179.296 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.89 -20.43 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.282 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 5.3 t-20 -97.02 -78.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.66 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.729 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.792 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.469 HD11 ' C ' ' B' ' 12' ' ' LYS . 1.4 mp -98.28 18.01 17.36 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.314 -0.955 . . . . 0.0 109.8 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -83.8 -11.59 56.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.495 -1.23 . . . . 0.0 108.509 177.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.685 HG22 ' O ' ' B' ' 15' ' ' ILE . 32.5 mm -84.63 8.31 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.618 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.538 HG22 ' N ' ' B' ' 17' ' ' ILE . 4.1 t -91.05 -30.43 16.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.983 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.538 ' N ' HG22 ' B' ' 16' ' ' THR . 0.3 OUTLIER -120.1 -40.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.577 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.565 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -64.16 -31.43 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 0.0 110.291 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.66 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 9.8 t0 -72.43 -22.77 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.937 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.52 -12.42 60.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.96 179.331 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.487 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -113.26 -35.43 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.254 179.65 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.565 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 21.4 mm-40 -66.74 -12.96 60.72 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.277 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.475 ' CZ ' ' HG3' ' B' ' 27' ' ' GLU . 84.4 t80 -93.06 -37.49 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.745 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.58 48.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.267 0.556 . . . . 0.0 110.903 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.481 ' HD2' ' O ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -75.1 -55.38 5.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.393 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -121.09 -13.29 8.58 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 113.357 -1.747 . . . . 0.0 107.83 178.541 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.745 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 13.9 mm-40 -63.17 -29.43 70.79 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 113.901 -1.499 . . . . 0.0 110.387 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 11.2 pt-20 -73.95 -5.89 44.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.13 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -120.38 -13.06 8.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.449 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.459 ' HB2' ' CE2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -95.93 -30.89 13.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.91 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.673 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -101.73 -3.81 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.756 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -93.56 -61.63 1.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.527 179.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.67 -18.95 0.79 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.604 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.673 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -65.29 -45.58 83.87 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.026 179.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.472 ' HE1' ' NE ' ' B' ' 32' ' ' ARG . 0.9 OUTLIER -104.6 -3.93 23.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.233 179.512 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.609 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.027 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.482 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 81.8 mmm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.834 0.349 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.836 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.61 -89.49 0.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.721 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -90.48 -22.21 21.48 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 121.87 0.843 . . . . 0.0 109.244 179.042 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 5' ' ' GLY . 0.9 OUTLIER -39.73 -42.67 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 113.582 -1.645 . . . . 0.0 112.69 -177.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.614 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -36.55 -40.72 0.48 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.48 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.634 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -121.95 4.64 9.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.538 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.681 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -97.4 -40.06 8.89 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.518 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -56.95 -11.44 1.48 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.176 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.531 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -109.29 -20.28 13.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.681 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -96.7 -84.81 0.36 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.57 -1.65 . . . . 0.0 110.38 178.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.478 ' O ' HG23 ' B' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.651 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.836 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.638 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -114.38 19.7 16.03 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.476 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.549 HD22 ' HZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -83.64 -2.06 55.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.874 178.079 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 11' ' ' ARG . 27.6 mm -79.79 10.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 12.6 t -93.14 -30.03 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.5 HD11 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -120.16 -38.67 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.618 -179.699 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.55 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.58 -19.87 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 0.0 110.794 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -75.28 -15.84 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.159 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.14 -16.67 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.644 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.91 -26.63 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.042 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 5.5 mm-40 -65.58 -12.34 52.19 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.498 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.476 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -77.34 -31.9 54.82 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.145 178.645 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.734 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -85.15 45.03 1.13 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.414 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -72.63 -61.97 1.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.774 0.797 . . . . 0.0 109.084 179.339 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -107.7 -17.98 13.95 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.13 -1.396 . . . . 0.0 107.575 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.734 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 12.2 mm-40 -57.19 -30.81 64.84 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.811 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 10.9 pt-20 -65.23 -30.1 70.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.341 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.24 -36.3 14.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.305 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -19.66 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.207 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.75 12.14 21.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.476 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.649 ' HE ' ' HE1' ' B' ' 35' ' ' TRP . 0.0 OUTLIER -104.3 -66.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.694 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.48 -25.96 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.744 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.651 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 8.5 ptpt -52.39 -56.8 12.54 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.409 0.623 . . . . 0.0 109.741 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.651 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -97.47 -3.22 40.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.559 179.128 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.551 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.006 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 77.6 mmm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.779 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -114.27 -97.43 0.44 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -178.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.685 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.54 -17.99 49.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.85 0.833 . . . . 0.0 109.239 178.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.667 HG12 ' N ' ' A' ' 5' ' ' GLY . 2.0 p -45.26 -42.91 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.074 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.667 ' N ' HG12 ' A' ' 4' ' ' VAL . . . -36.71 -45.03 0.99 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.077 -178.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -121.18 7.43 10.25 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.925 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.596 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -96.23 -41.21 8.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.576 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.576 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.05 -11.14 7.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.064 0.459 . . . . 0.0 111.259 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.566 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -22.12 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.1 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.574 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 5.2 t-20 -89.22 -76.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.484 HH21 HG23 ' B' ' 15' ' ' ILE . 2.8 tpm_? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.831 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.779 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 1.4 tttt . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.633 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -113.52 8.78 17.86 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.731 178.66 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -76.26 -10.61 59.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.357 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.581 HG22 ' O ' ' B' ' 15' ' ' ILE . 45.8 mm -83.61 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.27 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -117.94 -35.52 3.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.353 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -114.45 -39.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.572 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.75 -22.99 62.34 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.545 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.478 ' HA ' ' HB2' ' B' ' 22' ' ' GLU . 0.1 OUTLIER -77.39 -14.68 59.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.789 179.082 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -7.77 54.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.887 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.93 -30.65 4.67 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.021 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.572 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.4 mm-40 -68.85 -7.48 34.9 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.508 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -89.67 -15.99 31.41 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.044 179.326 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.775 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -78.35 50.82 0.96 Allowed 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.918 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.403 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -68.27 -64.39 0.87 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.833 0.825 . . . . 0.0 108.892 179.095 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -106.45 -17.36 14.29 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.358 177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.775 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 3.8 mm-40 -62.41 -28.6 69.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 113.64 -1.618 . . . . 0.0 110.225 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 16.8 pt-20 -71.58 -2.73 18.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.843 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.502 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 3.0 mm-40 -120.96 3.64 10.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -21.56 8.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.045 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.511 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -120.66 2.41 10.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.24 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.646 ' HD2' ' HE1' ' B' ' 35' ' ' TRP . 0.2 OUTLIER -97.6 -58.22 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.206 179.179 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.71 -16.35 0.95 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.511 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -67.38 -51.71 48.81 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.439 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.646 ' HE1' ' HD2' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -96.52 -8.38 32.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.247 0.546 . . . . 0.0 110.295 179.469 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.594 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.137 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.489 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.798 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.17 -88.28 0.61 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.772 -178.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.658 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -92.26 -22.58 19.69 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.904 0.859 . . . . 0.0 108.74 178.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.855 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -40.57 -49.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 CA-C-N 113.388 -1.733 . . . . 0.0 112.707 -178.102 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.678 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -35.31 -39.55 0.22 Allowed Glycine 0 CA--C 1.504 -0.609 0 C-N-CA 120.285 -0.959 . . . . 0.0 113.276 -178.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 7.3 p90 -121.4 6.78 10.12 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.92 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.739 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -97.65 -38.67 9.43 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -63.14 -27.97 69.74 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.006 -179.12 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.722 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -96.3 8.31 44.26 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.739 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 2.2 m-20 -116.17 -89.45 0.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.167 -1.833 . . . . 0.0 111.423 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.538 HH21 ' HE2' ' A' ' 7' ' ' PHE . 1.7 tpm_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.848 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.798 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 10.9 tttt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.617 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -115.45 8.1 15.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.402 0.62 . . . . 0.0 109.669 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -15.48 62.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 4' ' ' VAL . 29.0 mm -77.61 10.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.699 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m -96.34 -41.04 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.063 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.24 -37.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.715 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.706 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.46 -25.97 67.74 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.96 0.409 . . . . 0.0 110.376 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.548 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.3 t0 -70.34 -21.14 62.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.236 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -80.35 -7.0 58.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.775 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.706 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.6 -31.43 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.622 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.498 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 1.4 mm-40 -59.04 -13.66 7.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.289 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.58 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 34.6 t80 -120.71 -49.87 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.435 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.591 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -78.75 40.48 0.39 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.513 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -74.9 -57.45 3.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.061 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.513 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 31.2 t80 -116.08 -15.24 11.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.745 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.591 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 9.8 mm-40 -60.21 -29.31 68.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.93 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.738 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 12.7 pt-20 -71.35 -3.35 20.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.044 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.533 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 0.4 OUTLIER -120.84 -0.73 10.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.12 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.94 -49.29 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.798 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.518 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.86 -5.86 14.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.746 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.738 ' HB2' ' HA ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -93.02 -58.78 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.694 0.283 . . . . 0.0 110.864 179.387 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.64 -16.01 0.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.518 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -68.44 -55.0 13.37 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.089 179.271 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.424 ' NE1' ' HA ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -92.33 -6.0 51.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.469 179.533 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.618 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.957 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 89.1 mmm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.914 0.388 . . . . 0.0 111.344 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.786 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.43 -86.85 0.65 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.083 -178.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.603 ' HE2' ' HG2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -94.06 -22.14 18.7 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.838 0.828 . . . . 0.0 108.879 178.122 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.631 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -39.99 -49.19 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.611 -178.627 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.596 ' N ' HG12 ' A' ' 4' ' ' VAL . . . -43.81 -36.47 3.63 Favored Glycine 0 CA--C 1.501 -0.828 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.852 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -118.68 10.8 12.58 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.18 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -113.04 -47.2 3.05 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.33 -13.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.639 -179.412 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.601 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.58 -18.32 13.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.474 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 9.5 t30 -97.76 -85.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.383 -0.818 . . . . 0.0 110.794 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.786 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.538 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -100.47 9.06 43.11 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.011 179.209 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' B' ' 18' ' ' HIS . 0.2 OUTLIER -70.85 -12.56 61.61 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.239 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.522 HG22 ' O ' ' B' ' 15' ' ' ILE . 17.7 mm -70.84 -1.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.523 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -95.73 -29.1 14.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.865 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.474 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 1.2 mp -120.17 -58.04 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.888 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -52.47 -19.31 2.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.225 0.536 . . . . 0.0 110.391 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.483 ' OD2' ' HB2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -74.93 -38.2 61.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.314 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -62.98 -15.61 56.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.888 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.99 -28.54 10.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.54 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.9 mm-40 -68.14 -4.97 15.53 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.542 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 46.5 t80 -120.32 -43.84 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.321 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.657 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -78.79 37.76 0.3 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.227 0.537 . . . . 0.0 111.754 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.465 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -70.45 -59.66 2.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.985 0.898 . . . . 0.0 108.72 178.271 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -114.24 -15.63 12.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.847 -1.524 . . . . 0.0 107.54 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.657 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.8 mm-40 -61.49 -23.8 66.15 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.887 -1.506 . . . . 0.0 110.616 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.418 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 25.9 pt-20 -74.0 -1.87 21.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.321 0.581 . . . . 0.0 109.844 179.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.418 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 3.0 mm-40 -120.02 -18.9 8.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' B' ' 30' ' ' ARG . 0.2 OUTLIER -101.55 -54.54 2.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.075 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.649 ' HA ' ' NZ ' ' B' ' 34' ' ' LYS . . . -79.69 6.07 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.134 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -107.96 -62.44 1.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.687 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.67 -22.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.46 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.708 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.1 OUTLIER -55.62 -58.42 7.89 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.355 0.598 . . . . 0.0 109.989 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.708 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -95.46 -2.86 47.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.954 179.554 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.592 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.067 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 53.6 mmm . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.803 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.99 -88.95 0.61 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.528 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.753 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -91.96 -22.75 19.84 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.576 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.747 HG11 ' N ' ' A' ' 5' ' ' GLY . 2.2 p -39.59 -45.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.528 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.747 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -44.09 -41.94 6.44 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.604 -178.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -121.02 13.93 11.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.763 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.571 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -106.77 -45.28 4.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -179.268 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.582 ' HE2' ' CB ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -59.74 -5.0 0.78 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.133 0.492 . . . . 0.0 111.258 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.582 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.24 -22.72 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.264 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 13.9 t30 -89.73 -75.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.532 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 2.7 tpm_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.713 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.803 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.3 tttt . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.537 HD11 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -102.24 28.02 6.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.684 0.754 . . . . 0.0 109.614 178.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.818 ' HB2' ' HE1' ' B' ' 18' ' ' HIS . 3.8 pp -92.55 -17.67 24.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.101 178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.624 HG22 ' O ' ' B' ' 15' ' ' ILE . 16.7 mm -66.54 7.13 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.101 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.496 ' H ' ' C ' ' B' ' 14' ' ' LEU . 0.3 OUTLIER -102.33 -2.86 28.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.695 HG21 ' N ' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -120.45 -57.77 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.818 ' HE1' ' HB2' ' B' ' 14' ' ' LEU . 19.9 m80 -58.36 -37.14 74.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 122.027 0.918 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.528 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 2.3 t0 -65.0 4.58 0.43 Allowed 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.848 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.556 ' H ' ' C ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.32 -14.62 8.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.066 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.486 ' HG3' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -117.39 -52.65 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.923 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.623 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -46.06 -22.57 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.392 179.664 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 46.3 t80 -87.94 -38.64 15.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.65 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -79.79 37.13 0.35 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.501 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.517 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -67.56 -59.95 2.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.368 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.473 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 6.5 t80 -112.75 -17.35 12.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.075 -1.421 . . . . 0.0 107.523 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.65 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 10.6 mm-40 -59.98 -27.52 66.91 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.806 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.544 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 10.3 pt-20 -66.7 -11.42 54.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.218 0.532 . . . . 0.0 109.722 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.465 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 4.7 mm-40 -109.62 -26.57 9.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.079 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.491 HH12 ' HZ2' ' B' ' 34' ' ' LYS . 0.0 OUTLIER -82.87 -15.24 52.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.637 179.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.508 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.0 -3.82 15.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.386 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.663 ' HD2' ' HE1' ' B' ' 35' ' ' TRP . 0.2 OUTLIER -95.14 -56.77 2.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.15 179.216 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.29 -17.35 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.077 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.508 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -66.91 -66.34 0.57 Allowed 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.047 179.416 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.663 ' HE1' ' HD2' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -79.03 -11.11 59.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.409 179.526 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.593 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.873 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 61.5 mmm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.72 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.11 -92.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 -179.103 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.72 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.65 -18.63 29.14 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 109.065 178.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.676 HG12 ' N ' ' A' ' 5' ' ' GLY . 1.6 p -44.75 -43.73 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.653 -1.612 . . . . 0.0 112.74 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.676 ' N ' HG12 ' A' ' 4' ' ' VAL . . . -38.43 -44.75 1.76 Allowed Glycine 0 CA--C 1.503 -0.704 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.914 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.92 9.38 10.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.628 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.781 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -99.48 -33.36 10.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.246 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.577 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -69.7 -11.07 60.56 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.251 0.548 . . . . 0.0 111.12 -178.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.507 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.68 -1.01 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 176.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.781 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -106.22 -88.9 0.44 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.604 -2.089 . . . . 0.0 111.567 -178.601 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.442 ' HD2' ' CG ' ' B' ' 19' ' ' ASP . 2.9 tpm_? . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.746 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.696 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 5.4 tttm . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.553 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -96.15 14.2 24.77 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.445 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.533 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.7 pp -81.62 -16.04 52.76 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.589 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.705 HG13 ' HZ3' ' A' ' 3' ' ' LYS . 21.1 mm -80.1 -4.09 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.691 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -31.47 35.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.242 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.66 -41.17 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.759 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.85 -16.74 64.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.797 0.332 . . . . 0.0 111.108 -179.185 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.497 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.7 t0 -76.7 -23.89 53.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.155 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -10.88 60.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.759 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.16 -26.35 8.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.514 ' OE2' ' HG2' ' A' ' 8' ' ' LYS . 3.1 mm-40 -66.06 -9.18 28.4 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -97.29 -44.09 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.712 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -85.34 48.6 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.398 0.618 . . . . 0.0 110.632 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.505 ' CG ' ' H ' ' B' ' 26' ' ' PHE . 6.4 ptmt -75.49 -56.95 4.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.99 -1.004 . . . . 0.0 108.559 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.505 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -121.56 -11.84 8.62 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 113.533 -1.667 . . . . 0.0 107.971 179.115 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.712 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.0 mm-40 -61.98 -25.42 67.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.641 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -81.15 1.68 30.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.262 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.402 ' O ' ' HB1' ' B' ' 33' ' ' ALA . 1.3 mm-40 -120.19 -24.72 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.58 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -54.76 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.707 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.717 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -77.94 8.21 4.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -110.5 -63.23 1.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.116 179.361 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' B' ' 29' ' ' GLU . . . -47.82 -23.85 0.84 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.237 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.718 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 4.3 ptpt -53.22 -57.63 9.85 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.39 0.614 . . . . 0.0 109.573 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.718 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -97.27 -1.23 45.18 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.591 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.627 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.859 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE1' ' HB3' ' A' ' 1' ' ' MET . 70.7 mmm . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.915 0.388 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.818 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.5 -90.65 0.57 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.58 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.8 OUTLIER -88.4 -22.85 23.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.498 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.837 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -41.36 -51.02 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 CA-C-N 113.625 -1.625 . . . . 0.0 112.543 -178.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.661 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -34.08 -41.37 0.2 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.29 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -121.32 7.03 10.15 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.658 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -95.18 -55.72 2.97 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.837 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -46.95 -20.84 0.16 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.226 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.737 ' HG3' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -90.26 -49.68 6.41 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.429 177.215 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 9.2 t30 -68.7 -81.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.771 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.559 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.628 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.818 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.613 HD11 ' O ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -113.85 26.07 10.66 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.708 178.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.56 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.6 OUTLIER -89.22 -8.0 54.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.74 177.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.494 HG22 ' O ' ' B' ' 15' ' ' ILE . 33.5 mm -84.5 39.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.657 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.422 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -114.65 -59.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.271 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.607 HG21 ' N ' ' B' ' 18' ' ' HIS . 8.8 tp -98.02 -34.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.607 ' N ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -63.37 -33.57 75.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.559 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -75.56 -18.65 59.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.673 178.745 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' B' ' 16' ' ' THR . 0.0 OUTLIER -70.42 -11.18 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.019 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.512 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -116.85 -33.73 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.4 mm-40 -63.65 -10.49 19.19 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.068 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.452 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 57.0 t80 -112.92 -48.98 2.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.713 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -80.66 41.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.131 0.491 . . . . 0.0 111.69 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.443 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -70.05 -59.06 3.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.203 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -117.81 -13.93 10.12 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.774 -1.557 . . . . 0.0 107.721 178.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.713 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.5 mm-40 -59.67 -33.65 71.84 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.851 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.582 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 10.3 pt-20 -61.72 -13.27 21.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.087 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.582 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 3.1 mm-40 -107.23 -23.21 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.294 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -89.88 -9.19 49.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.692 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -117.37 -3.39 11.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.645 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -97.5 -53.26 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.395 179.086 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.15 -10.59 0.88 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.082 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.692 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -74.24 -53.61 9.43 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.15 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.524 ' NE1' ' HA ' ' B' ' 32' ' ' ARG . 0.6 OUTLIER -93.38 -6.24 47.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.344 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.645 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.826 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 43.1 mmm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.794 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.32 -93.14 0.52 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -178.63 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.767 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -83.97 -24.57 30.57 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.337 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.703 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.6 p -40.73 -40.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.236 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.615 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -35.23 -50.78 0.91 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.785 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -120.77 9.66 10.78 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.241 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.707 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.6 t80 -92.52 -34.75 13.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.712 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -70.23 -7.86 45.49 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.194 -178.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.712 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 2.9 ptm180 -115.75 -2.37 12.43 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.707 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 14.9 t30 -106.72 -81.45 0.55 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.255 -1.793 . . . . 0.0 111.288 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.529 HH21 ' HE2' ' A' ' 7' ' ' PHE . 1.4 tpm_? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.83 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.794 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.0 tttm . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.485 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.4 OUTLIER -92.82 13.45 20.32 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.754 179.084 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.42 -11.76 59.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.552 HG22 ' O ' ' B' ' 15' ' ' ILE . 22.7 mm -80.57 9.4 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -88.49 -41.0 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.515 HG21 ' N ' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -119.42 -40.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.749 -179.772 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.695 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -60.35 -28.65 68.35 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.153 -179.681 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.513 ' CG ' ' HD2' ' A' ' 11' ' ' ARG . 6.4 t0 -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -19.69 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.236 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -88.88 -36.3 16.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.492 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.38 5.21 13.17 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.603 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 27.1 t80 -112.15 -14.33 13.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.86 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.786 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -82.94 53.63 2.48 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.658 0.742 . . . . 0.0 110.514 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.466 ' CG ' ' H ' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -72.34 -55.51 6.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.603 -1.181 . . . . 0.0 108.644 178.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.466 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -121.04 -15.2 8.29 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 113.482 -1.69 . . . . 0.0 107.865 179.003 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.786 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 27.9 mm-40 -63.74 -28.53 69.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.04 -1.437 . . . . 0.0 110.037 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' B' ' 24' ' ' ALA . 17.0 pt-20 -73.82 -0.17 15.05 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 121.529 0.68 . . . . 0.0 109.635 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -121.28 0.39 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.652 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.11 -59.71 1.98 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.256 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.486 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -100.16 6.38 44.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.342 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -107.11 -63.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.226 179.214 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.09 -26.73 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.526 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.624 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.1 OUTLIER -51.02 -57.43 8.65 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.348 0.594 . . . . 0.0 109.606 179.074 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.624 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -96.69 -2.47 44.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.727 179.184 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.1 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.495 ' HB2' HG12 ' A' ' 4' ' ' VAL . 79.2 mmm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.954 0.407 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.805 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.39 -84.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.594 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.676 ' NZ ' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -101.84 -15.39 16.92 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.569 178.668 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.765 HG11 ' N ' ' A' ' 5' ' ' GLY . 2.2 p -43.16 -46.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.948 0 CA-C-N 113.862 -1.517 . . . . 0.0 112.265 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.765 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -45.7 -33.35 4.73 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.188 -1.006 . . . . 0.0 112.184 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.66 10.08 10.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.398 178.38 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.491 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -105.97 -43.07 4.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.68 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -64.88 -11.23 35.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.24 0.543 . . . . 0.0 110.854 -179.147 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -112.1 -6.56 14.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.899 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 59.3 t-20 -107.28 -78.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.021 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' HD2' ' OD2' ' B' ' 19' ' ' ASP . 2.4 tpm_? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.937 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.805 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.508 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -85.26 19.4 2.27 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.781 -0.767 . . . . 0.0 110.323 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.491 HD22 ' CA ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -79.69 -15.34 57.73 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.739 177.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.504 ' HA ' ' OD1' ' B' ' 19' ' ' ASP . 22.3 mm -75.64 2.46 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.625 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.82 -24.62 13.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.586 178.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.574 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 1.2 mm -120.39 -63.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.227 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.556 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -51.9 -19.26 1.66 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.108 0.48 . . . . 0.0 110.61 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.504 ' OD1' ' HA ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER -72.23 -42.12 66.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.214 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.574 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -56.66 -21.78 29.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.556 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.14 -27.64 14.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.822 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.6 mm-40 -78.08 0.69 23.71 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.888 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.427 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 56.1 t80 -110.09 -18.48 13.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.959 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.747 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -81.84 48.44 1.22 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.399 0.619 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.5 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -74.82 -61.34 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.273 178.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.5 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 17.8 t80 -110.73 -13.16 14.22 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.292 -1.322 . . . . 0.0 107.624 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.747 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 5.7 mm-40 -60.99 -27.71 68.5 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.638 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.565 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 8.5 pt-20 -71.02 -8.16 51.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.955 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.565 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 0.9 OUTLIER -109.76 -36.16 5.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.272 179.672 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.447 ' HE ' ' HB3' ' B' ' 30' ' ' ARG . 0.1 OUTLIER -71.26 -11.82 61.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.693 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.592 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -120.33 5.69 10.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.577 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -96.02 -57.76 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.902 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.93 -16.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.592 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -67.56 -57.72 5.98 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.234 179.405 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.452 ' NE1' ' HA ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -90.41 -6.06 55.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.619 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.608 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.011 -179.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 74.8 mmm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.807 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.57 -88.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.352 -178.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.582 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -93.01 -21.4 19.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.058 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.694 HG22 HD11 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -40.13 -41.19 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 CA-C-N 113.386 -1.734 . . . . 0.0 112.362 -179.049 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.551 ' N ' HG11 ' A' ' 4' ' ' VAL . . . -36.38 -48.22 1.18 Allowed Glycine 0 CA--C 1.504 -0.631 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.927 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -120.95 9.66 10.66 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.253 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.552 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.9 t80 -95.91 -42.08 8.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.358 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.637 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -61.98 -8.84 5.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.148 0.499 . . . . 0.0 111.521 -178.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.637 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -19.69 13.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.539 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.552 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 19.6 t30 -96.73 -88.57 0.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.387 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' NH2' ' HB ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.701 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.807 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.554 HD11 ' N ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.23 14.12 21.23 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.471 178.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.55 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -75.28 -15.43 60.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.71 177.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.694 HD11 HG22 ' A' ' 4' ' ' VAL . 11.1 mm -78.79 16.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.408 ' H ' ' C ' ' B' ' 14' ' ' LEU . 51.5 m -94.36 -47.18 6.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.561 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.541 HD11 ' O ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -117.09 -38.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.232 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.725 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -58.35 -23.25 56.28 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 109.796 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.527 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.8 t0 -76.54 -34.13 58.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.554 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -23.75 66.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.531 0.681 . . . . 0.0 109.328 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.725 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -90.42 -37.57 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.416 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.04 6.84 8.46 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.514 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' B' ' 21' ' ' LYS . 24.7 t80 -120.47 -13.71 8.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.508 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.759 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -82.25 54.88 2.68 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.9 0.857 . . . . 0.0 110.586 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.431 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -81.89 -51.46 8.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.061 -1.427 . . . . 0.0 108.093 178.633 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.73 -19.11 7.49 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 113.32 -1.764 . . . . 0.0 108.422 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.759 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 10.1 mm-40 -54.17 -24.71 19.13 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.912 -1.495 . . . . 0.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 0.3 OUTLIER -65.88 -39.36 90.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.491 178.624 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -76.98 -37.84 54.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.022 178.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' B' ' 29' ' ' GLU . 0.1 OUTLIER -67.05 -20.84 65.9 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 179.449 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.715 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -108.48 11.47 26.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.075 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -106.67 -62.96 1.33 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.437 179.661 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.426 ' HA ' ' OXT' ' B' ' 36' ' ' ASP . . . -47.19 -23.58 0.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.727 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.715 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 14.1 ptpt -55.37 -56.53 19.05 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.329 0.585 . . . . 0.0 109.852 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.591 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -97.53 -2.4 41.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.032 179.415 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.608 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.086 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.498 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.2 mmm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.912 0.387 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.809 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.95 -86.87 0.65 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.657 ' HE3' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -97.86 -20.49 17.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.749 HG23 HD11 ' B' ' 15' ' ' ILE . 0.8 OUTLIER -40.2 -41.34 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.699 -178.458 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.465 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -40.13 -43.33 2.59 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.487 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -121.22 9.43 10.44 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.531 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.657 ' CD2' ' HE3' ' A' ' 3' ' ' LYS . 1.4 t80 -98.46 -44.15 6.61 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.26 -8.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.083 0.468 . . . . 0.0 111.232 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.555 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -24.65 10.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.805 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.576 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 11.4 t30 -91.57 -87.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.059 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.726 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.809 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.647 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -111.88 15.78 20.65 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.385 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -76.01 -11.35 59.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.716 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.749 HD11 HG23 ' A' ' 4' ' ' VAL . 32.9 mm -83.53 26.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -120.21 -31.41 4.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.526 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -38.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.567 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -72.4 -23.8 61.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.019 0.437 . . . . 0.0 109.847 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.522 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -74.89 -15.35 60.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.881 178.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -17.14 58.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.99 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.56 -28.29 10.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.972 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.3 mm-40 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.671 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.44 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 58.2 mmm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.711 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.05 -88.38 0.62 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.77 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.901 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.8 OUTLIER -92.0 -23.27 19.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.436 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.734 HG23 HD11 ' B' ' 15' ' ' ILE . 1.4 p -39.16 -41.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 113.075 -1.875 . . . . 0.0 112.877 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.461 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.31 -51.85 1.31 Allowed Glycine 0 CA--C 1.501 -0.819 0 C-N-CA 120.331 -0.937 . . . . 0.0 112.89 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.49 ' HD1' ' H ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -120.87 14.37 11.6 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.018 178.334 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.762 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 5.6 t80 -98.54 -32.71 11.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.729 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -71.47 -10.1 59.24 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.423 0.63 . . . . 0.0 112.133 -178.01 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.729 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.6 ptm180 -110.5 -1.99 16.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.762 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.5 t30 -110.48 -86.03 0.54 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.559 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.631 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.901 ' HE2' ' HE2' ' A' ' 3' ' ' LYS . 5.2 tttt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.423 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.5 OUTLIER -93.08 13.16 21.71 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.622 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -77.22 -12.5 59.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 177.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.734 HD11 HG23 ' A' ' 4' ' ' VAL . 41.9 mm -87.38 36.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 -36.01 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.419 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.95 -37.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.579 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -69.34 -20.39 63.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.147 0.499 . . . . 0.0 110.089 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.54 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.0 t0 -71.27 -23.66 62.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.117 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -3.64 29.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.579 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.1 -36.17 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.56 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 71.2 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.81 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.56 -90.41 0.58 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.568 -178.808 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.613 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -88.91 -21.44 23.61 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -44.54 -41.06 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.868 -178.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.461 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -41.72 -41.08 3.24 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.517 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.23 10.06 10.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.691 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -101.46 -47.21 4.75 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.332 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -58.64 -9.42 1.7 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.979 0.419 . . . . 0.0 111.833 -178.565 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.543 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.98 -23.23 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.109 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 26.4 t-20 -88.18 -74.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.924 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.621 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 2.8 tpm_? . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.746 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.81 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.485 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.48 21.79 6.82 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.22 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.471 HD21 ' HZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -83.08 -7.96 59.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.152 178.346 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.685 HD11 HG23 ' A' ' 4' ' ' VAL . 34.9 mm -83.55 29.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -120.45 -30.68 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.505 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.01 -38.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.575 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -71.16 -27.8 63.81 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 110.159 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.621 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -72.64 -13.88 61.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.307 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -18.34 37.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.237 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.575 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.52 -21.3 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.908 179.258 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.476 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.6 mm-40 . . . . . 0 N--CA 1.45 -0.452 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.65 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.491 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 76.2 mmm . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.765 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.1 -90.02 0.59 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.499 -178.753 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.621 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -89.68 -23.96 21.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.235 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.842 HG23 HD11 ' B' ' 15' ' ' ILE . 0.9 OUTLIER -39.72 -44.84 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.461 -1.7 . . . . 0.0 112.276 -179.109 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.511 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.84 -44.72 1.96 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.879 -178.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -120.95 10.39 10.82 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.746 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.625 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -100.22 -43.45 6.29 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.79 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.98 -7.46 3.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -178.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.56 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -113.06 -17.39 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.625 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.3 t-20 -94.59 -77.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.517 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.4 tpm_? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.711 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.765 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 9.6 tttt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.402 ' O ' HG22 ' B' ' 16' ' ' THR . 2.5 mp -97.21 22.58 8.42 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.645 0.736 . . . . 0.0 109.736 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.3 pp -88.16 -12.68 43.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.852 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 4' ' ' VAL . 49.0 mm -80.4 8.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.014 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.402 HG22 ' O ' ' B' ' 13' ' ' LEU . 6.6 t -98.53 -30.71 12.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 0.4 OUTLIER -120.45 -38.8 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.582 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -68.45 -21.18 64.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 4.5 t0 -75.06 -17.81 60.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.222 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -73.33 -9.55 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.535 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.7 -36.53 4.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.464 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.582 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 12.4 mm-40 . . . . . 0 N--CA 1.448 -0.564 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.24 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 69.5 mmm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.849 0.357 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.77 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.22 -86.03 0.65 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -178.73 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.655 ' HZ1' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -98.88 -20.65 16.71 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.501 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 HD11 ' B' ' 15' ' ' ILE . 2.2 p -39.6 -41.84 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 113.429 -1.714 . . . . 0.0 112.351 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -42.08 -43.45 4.46 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.411 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -120.73 10.37 10.97 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.486 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.623 ' CD2' HG21 ' B' ' 15' ' ' ILE . 1.3 t80 -97.68 -47.35 5.65 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.743 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.74 -7.24 1.49 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.11 0.481 . . . . 0.0 111.354 -178.762 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.575 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.95 -23.69 10.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 177.729 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.487 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 22.2 t-20 -90.88 -76.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.076 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.556 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.327 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.77 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.537 HD12 ' NZ ' ' B' ' 12' ' ' LYS . 4.5 mp -83.24 13.6 4.12 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.99 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.66 -18.84 61.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.757 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.797 HD11 HG23 ' A' ' 4' ' ' VAL . 26.1 mm -85.17 17.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.9 m -109.41 -32.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.1 -39.65 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.581 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -71.54 -23.5 61.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.889 0.376 . . . . 0.0 110.338 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 12.9 t0 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.894 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.499 ' HE ' ' HA ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.22 -7.31 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.179 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.481 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.95 -29.97 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.722 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.581 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.5 mm-40 . . . . . 0 N--CA 1.451 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.368 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.47 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 76.8 mmm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.896 0.379 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.676 ' CH2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -117.52 -89.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 -178.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.646 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -88.48 -26.51 22.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.314 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.906 HG23 HD11 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -39.45 -44.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.334 -1.757 . . . . 0.0 112.44 -178.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.5 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.36 -46.45 1.99 Allowed Glycine 0 CA--C 1.505 -0.564 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.85 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.66 10.48 11.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.452 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.587 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -99.48 -42.06 7.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.083 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.716 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.07 -9.62 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.816 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.595 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -20.25 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.784 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.51 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.7 t30 -101.43 -95.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.245 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.468 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 2.6 tpp180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.079 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.676 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.4 tttt . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.541 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -92.58 17.85 9.54 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.518 0.675 . . . . 0.0 109.809 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.7 OUTLIER -83.49 -26.64 30.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.704 -1.134 . . . . 0.0 108.773 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.906 HD11 HG23 ' A' ' 4' ' ' VAL . 16.6 mm -72.97 -5.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.706 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -76.1 -36.63 58.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.066 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.87 -40.29 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.587 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.74 -14.04 62.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.265 -179.139 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.635 ' OD2' HG23 ' B' ' 15' ' ' ILE . 4.9 t0 -79.89 -24.31 41.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.06 -7.74 43.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.572 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.587 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -117.58 -29.3 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.468 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.541 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 1.4 mm-40 . . . . . 0 N--CA 1.449 -0.495 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.224 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 71.9 mmm . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.781 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.52 -88.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.003 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.625 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -92.77 -24.07 18.67 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.206 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.876 HG23 HD11 ' B' ' 15' ' ' ILE . 0.8 OUTLIER -39.78 -44.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.609 -179.144 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -37.33 -47.68 1.53 Allowed Glycine 0 CA--C 1.503 -0.694 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.81 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.41 ' HD1' ' H ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -120.86 11.09 11.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.485 178.721 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.1 t80 -97.53 -44.27 6.89 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.14 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.51 -7.55 1.47 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.537 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.646 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.95 -24.7 9.8 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.661 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.5 t30 -86.65 -76.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.249 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.59 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.0 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.813 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.781 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.489 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -93.27 14.12 19.23 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.211 179.64 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -77.32 -12.06 59.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.321 177.496 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.876 HD11 HG23 ' A' ' 4' ' ' VAL . 40.5 mm -88.14 33.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.315 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.7 m -120.39 -39.27 2.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.56 -36.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.577 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.67 -21.83 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.604 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -77.4 -17.34 58.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.316 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -14.69 61.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.281 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.18 -34.17 6.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.145 179.607 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.577 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.0 mm-40 . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.984 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.487 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 82.0 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.814 0.34 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.825 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -112.3 -92.71 0.47 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.094 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.757 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.07 -15.96 32.71 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.696 0.76 . . . . 0.0 109.577 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.786 HG23 HD11 ' B' ' 15' ' ' ILE . 0.9 OUTLIER -45.7 -43.31 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 CA-C-N 114.062 -1.426 . . . . 0.0 112.126 -178.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.483 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -37.59 -43.53 1.15 Allowed Glycine 0 CA--C 1.504 -0.656 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.878 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -121.29 9.27 10.37 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.135 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.661 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -101.26 -40.68 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.567 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.755 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.82 -9.34 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.522 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -112.92 -24.17 9.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.294 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 19.9 t30 -94.7 -77.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.432 HH21 ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.886 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.825 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.532 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -100.4 15.05 29.07 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.919 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.9 OUTLIER -79.45 -9.8 59.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.065 177.365 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.786 HD11 HG23 ' A' ' 4' ' ' VAL . 40.3 mm -84.12 22.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.257 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 56.8 m -110.09 -32.2 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.576 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.18 -37.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.532 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -69.27 -23.41 63.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.761 ' OD2' HG23 ' B' ' 15' ' ' ILE . 0.2 OUTLIER -78.94 -15.67 57.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.327 179.376 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -7.61 57.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.083 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.83 -27.41 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.468 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.532 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.3 mm-40 . . . . . 0 N--CA 1.45 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.021 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.482 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 51.5 mmm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.829 0.347 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.35 -90.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.619 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.713 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -90.31 -22.96 21.3 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.18 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.717 HG23 HD11 ' B' ' 15' ' ' ILE . 1.7 p -39.61 -41.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 113.13 -1.85 . . . . 0.0 112.778 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.462 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.39 -50.81 0.96 Allowed Glycine 0 CA--C 1.501 -0.795 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.696 -178.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.422 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 12.3 p90 -120.84 11.37 11.1 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.069 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.828 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 2.6 t80 -96.67 -29.83 13.59 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.81 -6.85 47.59 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 121.634 0.73 . . . . 0.0 111.033 -178.794 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.708 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.3 ptm180 -119.82 11.83 11.96 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.828 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -120.82 -87.47 0.64 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.66 -178.046 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.622 HH21 ' HE2' ' A' ' 7' ' ' PHE . 1.1 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.774 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.795 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.487 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -99.73 11.0 40.36 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.966 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -14.2 60.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.735 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.717 HD11 HG23 ' A' ' 4' ' ' VAL . 36.1 mm -80.79 1.13 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 m -81.86 -37.97 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.974 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.39 -38.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.478 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.35 -16.12 63.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.905 0.383 . . . . 0.0 110.934 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.478 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.1 t0 -78.74 -23.3 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.47 -7.95 52.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.478 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.66 -26.85 5.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.507 -179.059 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.443 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.1 mm-40 . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.621 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.38 -91.68 0.5 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.025 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.76 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.38 -16.09 31.8 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.795 0.807 . . . . 0.0 109.316 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.814 HG22 ' HG3' ' A' ' 8' ' ' LYS . 1.4 p -45.93 -42.99 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.226 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -41.06 -40.73 2.48 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.689 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -121.21 9.25 10.41 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.135 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.669 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -103.29 -41.44 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.814 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -60.69 -9.31 3.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.159 0.504 . . . . 0.0 110.845 -179.296 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.89 -20.43 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.282 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.603 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 10.9 t30 -97.02 -78.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.729 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.795 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.28 18.01 17.36 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.314 -0.955 . . . . 0.0 109.8 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -83.8 -11.59 56.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.495 -1.23 . . . . 0.0 108.509 177.854 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.772 HD11 HG23 ' A' ' 4' ' ' VAL . 32.5 mm -84.63 8.31 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.618 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -91.05 -30.43 16.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.983 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.458 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -120.1 -40.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.577 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.58 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -64.16 -31.43 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 0.0 110.291 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.682 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 9.8 t0 -72.43 -22.77 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.937 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.52 -12.42 60.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.96 179.331 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.508 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -113.26 -35.43 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.254 179.65 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.58 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 21.4 mm-40 . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.277 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 81.8 mmm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.834 0.349 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.841 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.61 -89.49 0.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.783 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -90.48 -22.21 21.48 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 121.87 0.843 . . . . 0.0 109.244 179.042 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.706 HG22 ' HG3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -39.73 -42.67 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 113.582 -1.645 . . . . 0.0 112.69 -177.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.457 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.55 -40.72 0.48 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.48 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -121.95 4.64 9.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.538 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.716 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -97.4 -40.06 8.89 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.518 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -56.95 -11.44 1.48 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.176 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -109.29 -20.28 13.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.716 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 1.4 m-20 -96.7 -84.81 0.36 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.57 -1.65 . . . . 0.0 110.38 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HE ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.651 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.841 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.642 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -114.38 19.7 16.03 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.476 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.566 HD21 ' HZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -83.64 -2.06 55.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.874 178.079 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.659 ' CD1' HG23 ' A' ' 4' ' ' VAL . 27.6 mm -79.79 10.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 12.6 t -93.14 -30.03 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.437 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -120.16 -38.67 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.618 -179.699 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.576 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.58 -19.87 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 0.0 110.794 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -75.28 -15.84 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.159 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -82.14 -16.67 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.644 179.695 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.91 -26.63 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.042 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.541 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 5.5 mm-40 . . . . . 0 N--CA 1.441 -0.916 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.498 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.458 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 77.6 mmm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.773 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -114.27 -97.43 0.44 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -178.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.707 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.54 -17.99 49.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.85 0.833 . . . . 0.0 109.239 178.608 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.811 HG22 ' HG3' ' A' ' 8' ' ' LYS . 2.0 p -45.26 -42.91 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.074 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.487 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.71 -45.03 0.99 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.077 -178.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -121.18 7.43 10.25 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.925 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.694 ' HB3' ' HZ3' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -96.23 -41.21 8.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.576 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.811 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.05 -11.14 7.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.064 0.459 . . . . 0.0 111.259 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.561 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -22.12 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.1 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.604 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 13.6 t30 -89.22 -76.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.8 tpm_? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.831 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.773 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 1.4 tttt . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.639 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -113.52 8.78 17.86 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.731 178.66 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -76.26 -10.61 59.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.357 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.79 HD11 HG23 ' A' ' 4' ' ' VAL . 45.8 mm -83.61 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.27 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -117.94 -35.52 3.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.353 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -114.45 -39.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.588 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.75 -22.99 62.34 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.545 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.617 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -77.39 -14.68 59.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.789 179.082 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -7.77 54.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.887 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.93 -30.65 4.67 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.021 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.588 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.4 mm-40 . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.79 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.17 -88.28 0.61 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.772 -178.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -92.26 -22.58 19.69 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.904 0.859 . . . . 0.0 108.74 178.613 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.888 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -40.57 -49.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 CA-C-N 113.388 -1.733 . . . . 0.0 112.707 -178.102 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.535 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.31 -39.55 0.22 Allowed Glycine 0 CA--C 1.504 -0.609 0 C-N-CA 120.285 -0.959 . . . . 0.0 113.276 -178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 7.3 p90 -121.4 6.78 10.12 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.92 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.8 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -97.65 -38.67 9.43 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.789 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.888 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -63.14 -27.97 69.74 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.006 -179.12 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.737 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -96.3 8.31 44.26 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.8 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 2.2 m-20 -116.17 -89.45 0.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.167 -1.833 . . . . 0.0 111.423 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.629 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.7 tpm_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.848 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.79 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 10.9 tttt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.625 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -115.45 8.1 15.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.402 0.62 . . . . 0.0 109.669 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.483 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -71.03 -15.48 62.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.196 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.689 ' CD1' HG23 ' A' ' 4' ' ' VAL . 29.0 mm -77.61 10.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.699 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m -96.34 -41.04 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.063 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.24 -37.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.715 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.717 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.46 -25.97 67.74 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.96 0.409 . . . . 0.0 110.376 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.554 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.3 t0 -70.34 -21.14 62.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.236 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -7.0 58.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.775 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.717 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.6 -31.43 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.622 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.521 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 1.4 mm-40 . . . . . 0 N--CA 1.446 -0.639 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.433 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 89.1 mmm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.914 0.388 . . . . 0.0 111.344 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.785 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.43 -86.85 0.65 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.083 -178.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.636 ' HE2' ' HG2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -94.06 -22.14 18.7 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.838 0.828 . . . . 0.0 108.879 178.122 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.823 HG22 ' CG ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -39.99 -49.19 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.611 -178.627 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.539 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -43.81 -36.47 3.63 Favored Glycine 0 CA--C 1.501 -0.828 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.852 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -118.68 10.8 12.58 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.18 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.581 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -113.04 -47.2 3.05 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.823 ' CG ' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.33 -13.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.639 -179.412 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.606 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.58 -18.32 13.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.514 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 28.5 t-20 -97.76 -85.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.505 ' NE ' HG22 ' B' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.383 -0.818 . . . . 0.0 110.794 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.785 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.47 9.06 43.11 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.548 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -70.85 -12.56 61.61 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.239 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.787 HD11 HG23 ' A' ' 4' ' ' VAL . 17.7 mm -70.84 -1.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.523 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.438 ' O ' HD12 ' B' ' 17' ' ' ILE . 4.9 m -95.73 -29.1 14.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.865 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.577 HG22 ' N ' ' B' ' 18' ' ' HIS . 1.2 mp -120.17 -58.04 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.899 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -52.47 -19.31 2.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.225 0.536 . . . . 0.0 110.391 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.489 ' OD2' ' HB2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -74.93 -38.2 61.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.314 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.482 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -62.98 -15.61 56.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.899 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.99 -28.54 10.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.554 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.9 mm-40 . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 53.6 mmm . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.801 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.99 -88.95 0.61 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.528 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.737 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -91.96 -22.75 19.84 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.576 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.103 HG23 HD11 ' B' ' 15' ' ' ILE . 2.2 p -39.59 -45.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.528 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.531 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -44.09 -41.94 6.44 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.604 -178.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -121.02 13.93 11.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.763 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.591 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -106.77 -45.28 4.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -179.268 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.777 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.74 -5.0 0.78 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.133 0.492 . . . . 0.0 111.258 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.576 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.24 -22.72 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.264 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 13.9 t30 -89.73 -75.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.532 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 2.7 tpm_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.713 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.801 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.3 tttt . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.537 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -102.24 28.02 6.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.684 0.754 . . . . 0.0 109.614 178.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.834 ' HB2' ' HE1' ' B' ' 18' ' ' HIS . 3.8 pp -92.55 -17.67 24.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.101 178.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 1.103 HD11 HG23 ' A' ' 4' ' ' VAL . 16.7 mm -66.54 7.13 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.101 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.453 ' H ' ' C ' ' B' ' 14' ' ' LEU . 0.3 OUTLIER -102.33 -2.86 28.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.647 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.541 HG22 ' N ' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -120.45 -57.77 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.834 ' HE1' ' HB2' ' B' ' 14' ' ' LEU . 19.9 m80 -58.36 -37.14 74.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 122.027 0.918 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.526 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 2.3 t0 -65.0 4.58 0.43 Allowed 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.848 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.32 -14.62 8.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.066 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.514 ' HD2' HG23 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -117.39 -52.65 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.923 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.619 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.392 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG2' ' H1 ' ' A' ' 1' ' ' MET . 61.5 mmm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.75 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.11 -92.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 -179.103 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.75 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.65 -18.63 29.14 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 109.065 178.559 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.05 HG23 HD11 ' B' ' 15' ' ' ILE . 1.6 p -44.75 -43.73 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.653 -1.612 . . . . 0.0 112.74 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.493 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.43 -44.75 1.76 Allowed Glycine 0 CA--C 1.503 -0.704 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.914 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.92 9.38 10.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.628 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.844 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -99.48 -33.36 10.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.246 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.78 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -69.7 -11.07 60.56 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.251 0.548 . . . . 0.0 111.12 -178.703 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.68 -1.01 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 176.737 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.844 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -106.22 -88.9 0.44 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.604 -2.089 . . . . 0.0 111.567 -178.601 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.9 tpm_? . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.746 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.696 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 5.4 tttm . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.521 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -96.15 14.2 24.77 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.445 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.7 pp -81.62 -16.04 52.76 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.589 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 1.05 HD11 HG23 ' A' ' 4' ' ' VAL . 21.1 mm -80.1 -4.09 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.691 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -31.47 35.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.242 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.66 -41.17 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.772 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.85 -16.74 64.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.797 0.332 . . . . 0.0 111.108 -179.185 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.511 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.7 t0 -76.7 -23.89 53.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.155 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -10.88 60.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.772 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.16 -26.35 8.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.517 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 3.1 mm-40 . . . . . 0 N--CA 1.448 -0.532 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 70.7 mmm . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.915 0.388 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.82 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.5 -90.65 0.57 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.586 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.8 OUTLIER -88.4 -22.85 23.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.498 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.855 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -41.36 -51.02 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 CA-C-N 113.625 -1.625 . . . . 0.0 112.543 -178.797 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.556 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -34.08 -41.37 0.2 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.29 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -121.32 7.03 10.15 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.658 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -95.18 -55.72 2.97 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -46.95 -20.84 0.16 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.226 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.72 ' HG3' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -90.26 -49.68 6.41 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.429 177.215 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 9.2 t30 -68.7 -81.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.771 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.628 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.82 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.604 HD13 ' O ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -113.85 26.07 10.66 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.708 178.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.6 OUTLIER -89.22 -8.0 54.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.74 177.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.758 HD11 HG23 ' A' ' 4' ' ' VAL . 33.5 mm -84.5 39.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.657 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.446 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -114.65 -59.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.271 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 8.8 tp -98.02 -34.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.563 ' HB3' ' O ' ' B' ' 14' ' ' LEU . 0.0 OUTLIER -63.37 -33.57 75.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.611 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -75.56 -18.65 59.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.673 178.745 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' B' ' 16' ' ' THR . 0.0 OUTLIER -70.42 -11.18 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.019 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -116.85 -33.73 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.4 mm-40 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.068 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.467 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 43.1 mmm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.791 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.32 -93.14 0.52 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -178.63 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -83.97 -24.57 30.57 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.337 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.714 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.6 p -40.73 -40.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.236 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.433 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.23 -50.78 0.91 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.785 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -120.77 9.66 10.78 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.241 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.741 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.6 t80 -92.52 -34.75 13.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.719 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -70.23 -7.86 45.49 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.194 -178.145 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.719 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 2.9 ptm180 -115.75 -2.37 12.43 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.741 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 14.9 t30 -106.72 -81.45 0.55 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.255 -1.793 . . . . 0.0 111.288 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.547 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.4 tpm_? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.83 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.791 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.0 tttm . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.473 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -92.82 13.45 20.32 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.754 179.084 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.42 -11.76 59.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.679 ' CD1' HG23 ' A' ' 4' ' ' VAL . 22.7 mm -80.57 9.4 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -88.49 -41.0 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.544 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -119.42 -40.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.749 -179.772 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.697 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -60.35 -28.65 68.35 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.153 -179.681 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.52 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.4 t0 -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -19.69 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.236 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -88.88 -36.3 16.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.492 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.437 -1.117 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.603 178.434 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.471 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 79.2 mmm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.954 0.407 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.8 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.39 -84.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.594 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.688 ' NZ ' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -101.84 -15.39 16.92 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.569 178.668 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.799 HG22 ' HG3' ' A' ' 8' ' ' LYS . 2.2 p -43.16 -46.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.948 0 CA-C-N 113.862 -1.517 . . . . 0.0 112.265 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.515 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -45.7 -33.35 4.73 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.188 -1.006 . . . . 0.0 112.184 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.66 10.08 10.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.398 178.38 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.525 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -105.97 -43.07 4.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.799 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -64.88 -11.23 35.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.24 0.543 . . . . 0.0 110.854 -179.147 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.592 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -112.1 -6.56 14.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.899 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.525 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 59.3 t-20 -107.28 -78.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.021 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.4 tpm_? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.937 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.8 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.489 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -85.26 19.4 2.27 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.781 -0.767 . . . . 0.0 110.323 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.412 HD12 ' CE1' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -79.69 -15.34 57.73 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.739 177.809 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.727 ' CD1' HG23 ' A' ' 4' ' ' VAL . 22.3 mm -75.64 2.46 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.625 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.82 -24.62 13.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.586 178.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.581 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 1.2 mm -120.39 -63.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.227 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.577 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -51.9 -19.26 1.66 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.108 0.48 . . . . 0.0 110.61 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.517 ' OD1' ' HA ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER -72.23 -42.12 66.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.214 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.581 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -56.66 -21.78 29.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.577 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.14 -27.64 14.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.822 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.6 mm-40 . . . . . 0 N--CA 1.445 -0.712 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.888 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.476 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 74.8 mmm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.804 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.57 -88.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.352 -178.748 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.59 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -93.01 -21.4 19.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.058 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.708 HG23 ' CD1' ' B' ' 15' ' ' ILE . 0.5 OUTLIER -40.13 -41.19 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 CA-C-N 113.386 -1.734 . . . . 0.0 112.362 -179.049 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.441 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.38 -48.22 1.18 Allowed Glycine 0 CA--C 1.504 -0.631 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.927 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -120.95 9.66 10.66 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.253 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.583 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.9 t80 -95.91 -42.08 8.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.358 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.67 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.98 -8.84 5.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.148 0.499 . . . . 0.0 111.521 -178.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.632 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -19.69 13.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.539 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.583 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 19.6 t30 -96.73 -88.57 0.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.387 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' NH2' ' HB ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.701 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.804 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.53 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.23 14.12 21.23 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.471 178.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -75.28 -15.43 60.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.71 177.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.708 ' CD1' HG23 ' A' ' 4' ' ' VAL . 11.1 mm -78.79 16.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 51.5 m -94.36 -47.18 6.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.561 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.546 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -117.09 -38.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.232 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.723 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -58.35 -23.25 56.28 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 109.796 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ASP . . . . . 0.539 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.8 t0 -76.54 -34.13 58.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.554 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -23.75 66.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.531 0.681 . . . . 0.0 109.328 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.723 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -90.42 -37.57 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.416 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 6.0 mm-40 . . . . . 0 N--CA 1.436 -1.152 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.514 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.2 mmm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.912 0.387 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.809 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.95 -86.87 0.65 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.657 ' HE3' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -97.86 -20.49 17.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.749 HG23 HD11 ' B' ' 15' ' ' ILE . 0.8 OUTLIER -40.2 -41.34 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.699 -178.458 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.465 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -40.13 -43.33 2.59 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.487 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -121.22 9.43 10.44 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.531 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.657 ' CD2' ' HE3' ' A' ' 3' ' ' LYS . 1.4 t80 -98.46 -44.15 6.61 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.26 -8.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.083 0.468 . . . . 0.0 111.232 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.555 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -24.65 10.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.576 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 11.4 t30 -91.57 -87.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.059 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.726 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.809 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.647 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -111.88 15.78 20.65 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.385 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -76.01 -11.35 59.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.716 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.749 HD11 HG23 ' A' ' 4' ' ' VAL . 32.9 mm -83.53 26.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -120.21 -31.41 4.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.526 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -38.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.567 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -72.4 -23.8 61.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.019 0.437 . . . . 0.0 109.847 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.522 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -74.89 -15.35 60.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.881 178.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -17.14 58.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.99 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.56 -28.29 10.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.972 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.3 mm-40 -70.74 -2.01 13.27 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.671 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 48.0 t80 -115.09 -20.35 10.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.534 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.782 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.85 47.57 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.187 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.541 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -71.04 -59.69 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.846 0.832 . . . . 0.0 108.791 178.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.541 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 11.5 t80 -113.73 -13.11 12.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.035 -1.439 . . . . 0.0 107.319 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.782 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.6 mm-40 -65.19 -25.02 67.54 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 113.706 -1.588 . . . . 0.0 110.516 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.446 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 17.4 pt-20 -79.3 -3.81 47.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.325 0.584 . . . . 0.0 109.666 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 0.5 OUTLIER -121.7 -8.97 8.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.093 179.653 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.45 ' HD2' ' OE1' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -106.53 -50.3 3.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.643 -178.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.724 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -104.12 9.97 36.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.515 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -111.2 -59.86 1.91 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.145 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.48 -20.81 0.79 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.237 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.724 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 14.1 ptpt -56.15 -57.69 11.09 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.366 0.603 . . . . 0.0 109.767 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.703 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -96.66 -3.2 43.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.606 179.227 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.953 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 58.2 mmm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.711 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.05 -88.38 0.62 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.77 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.901 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.8 OUTLIER -92.0 -23.27 19.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.436 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.734 HG23 HD11 ' B' ' 15' ' ' ILE . 1.4 p -39.16 -41.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 113.075 -1.875 . . . . 0.0 112.877 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.461 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.31 -51.85 1.31 Allowed Glycine 0 CA--C 1.501 -0.819 0 C-N-CA 120.331 -0.937 . . . . 0.0 112.89 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.49 ' HD1' ' H ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -120.87 14.37 11.6 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.018 178.334 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.762 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 5.6 t80 -98.54 -32.71 11.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.729 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -71.47 -10.1 59.24 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.423 0.63 . . . . 0.0 112.133 -178.01 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.729 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.6 ptm180 -110.5 -1.99 16.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.762 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.5 t30 -110.48 -86.03 0.54 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.559 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.631 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.901 ' HE2' ' HE2' ' A' ' 3' ' ' LYS . 5.2 tttt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.423 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.5 OUTLIER -93.08 13.16 21.71 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.622 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -77.22 -12.5 59.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 177.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.734 HD11 HG23 ' A' ' 4' ' ' VAL . 41.9 mm -87.38 36.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 -36.01 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.419 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.95 -37.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.579 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -69.34 -20.39 63.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.147 0.499 . . . . 0.0 110.089 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.54 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.0 t0 -71.27 -23.66 62.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.117 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -3.64 29.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.579 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.1 -36.17 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.56 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -61.48 -14.87 32.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.904 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -95.84 -46.04 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.798 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.728 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.37 41.99 0.86 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.28 0.562 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.505 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -71.84 -59.95 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.175 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.422 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 9.9 t80 -115.1 -13.05 11.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.172 -1.377 . . . . 0.0 107.765 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.728 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 1.6 mm-40 -61.44 -19.83 62.42 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.788 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -78.55 -2.66 39.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.247 0.546 . . . . 0.0 109.93 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -120.29 -23.94 6.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.188 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -54.89 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.843 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.53 ' HB2' ' OE2' ' B' ' 27' ' ' GLU . . . -76.82 1.28 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -106.64 -62.33 1.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.95 -21.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.583 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.643 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 4.1 ptpt -56.48 -57.53 11.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.355 0.598 . . . . 0.0 109.678 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.643 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -95.92 -2.37 47.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.794 179.193 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.63 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.066 -179.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 71.2 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.81 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.56 -90.41 0.58 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.568 -178.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.613 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -88.91 -21.44 23.61 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -44.54 -41.06 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.868 -178.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.461 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -41.72 -41.08 3.24 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.517 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.23 10.06 10.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.691 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -101.46 -47.21 4.75 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.332 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -58.64 -9.42 1.7 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.979 0.419 . . . . 0.0 111.833 -178.565 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.543 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.98 -23.23 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.109 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 26.4 t-20 -88.18 -74.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.924 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.621 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 2.8 tpm_? . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.746 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.81 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.485 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.48 21.79 6.82 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.22 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.471 HD21 ' HZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -83.08 -7.96 59.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.152 178.346 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.685 HD11 HG23 ' A' ' 4' ' ' VAL . 34.9 mm -83.55 29.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -120.45 -30.68 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.505 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.01 -38.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.575 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -71.16 -27.8 63.81 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 110.159 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.621 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -72.64 -13.88 61.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.307 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -18.34 37.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.237 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.575 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.52 -21.3 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.908 179.258 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.476 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.6 mm-40 -75.59 5.13 6.42 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.65 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.58 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 44.0 t80 -120.24 -12.93 8.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.345 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.79 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.37 51.86 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.481 0.658 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.522 ' HD2' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -70.67 -61.59 1.71 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.865 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.522 ' HB3' ' HD2' ' B' ' 25' ' ' LYS . 12.8 t80 -114.84 -15.25 11.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.484 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.79 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 17.7 mm-40 -63.26 -24.64 67.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.326 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.749 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 16.4 pt-20 -75.42 -8.64 57.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.749 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 1.2 mm-40 -120.2 -5.45 9.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.733 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.612 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -105.14 -27.67 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.471 -178.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.428 ' C ' ' HG2' ' B' ' 34' ' ' LYS . . . -118.8 18.49 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.225 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.618 ' HE ' ' HE1' ' B' ' 35' ' ' TRP . 0.0 OUTLIER -110.24 -64.98 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.685 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.6 -23.48 0.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.265 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.769 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.0 OUTLIER -53.38 -57.47 10.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.246 0.546 . . . . 0.0 109.82 178.785 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.769 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -97.03 -3.04 42.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.321 178.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.59 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.055 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.491 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 76.2 mmm . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.765 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.1 -90.02 0.59 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.499 -178.753 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.621 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -89.68 -23.96 21.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.235 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.842 HG23 HD11 ' B' ' 15' ' ' ILE . 0.9 OUTLIER -39.72 -44.84 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.461 -1.7 . . . . 0.0 112.276 -179.109 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.511 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.84 -44.72 1.96 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.879 -178.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -120.95 10.39 10.82 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.746 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.625 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -100.22 -43.45 6.29 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.79 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.98 -7.46 3.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -178.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.56 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -113.06 -17.39 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.625 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.3 t-20 -94.59 -77.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.517 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.4 tpm_? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.711 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.765 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 9.6 tttt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.402 ' O ' HG22 ' B' ' 16' ' ' THR . 2.5 mp -97.21 22.58 8.42 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.645 0.736 . . . . 0.0 109.736 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.3 pp -88.16 -12.68 43.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.852 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 4' ' ' VAL . 49.0 mm -80.4 8.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.014 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.402 HG22 ' O ' ' B' ' 13' ' ' LEU . 6.6 t -98.53 -30.71 12.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 0.4 OUTLIER -120.45 -38.8 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.582 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -68.45 -21.18 64.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 4.5 t0 -75.06 -17.81 60.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.222 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -73.33 -9.55 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.535 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.7 -36.53 4.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.464 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.582 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 12.4 mm-40 -60.84 -15.3 28.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.24 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.561 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 62.9 t80 -101.75 -50.49 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.907 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -79.48 37.3 0.33 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.159 0.504 . . . . 0.0 111.363 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.423 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -72.77 -57.52 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.932 0.872 . . . . 0.0 108.691 178.598 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.414 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 30.4 t80 -117.22 -17.68 10.15 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.861 -1.518 . . . . 0.0 108.029 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.622 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 7.2 mm-40 -53.71 -31.31 47.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.117 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 3.3 pt-20 -56.31 -37.94 70.6 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 121.116 0.484 . . . . 0.0 109.756 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.586 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 2.6 tt0 -85.05 -33.78 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.154 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -14.21 61.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.481 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.654 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -115.86 0.88 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.405 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -93.0 -64.27 1.12 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.51 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.1 -16.51 0.48 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.761 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.654 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -67.66 -45.55 74.94 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.997 179.527 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.576 ' HE1' ' HD2' ' B' ' 32' ' ' ARG . 0.8 OUTLIER -103.36 -5.67 22.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.147 179.415 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.591 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.01 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 69.5 mmm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.849 0.357 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.77 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.22 -86.03 0.65 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -178.73 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.655 ' HZ1' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -98.88 -20.65 16.71 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.501 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 HD11 ' B' ' 15' ' ' ILE . 2.2 p -39.6 -41.84 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 113.429 -1.714 . . . . 0.0 112.351 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -42.08 -43.45 4.46 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.411 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -120.73 10.37 10.97 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.486 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.623 ' CD2' HG21 ' B' ' 15' ' ' ILE . 1.3 t80 -97.68 -47.35 5.65 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.743 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.74 -7.24 1.49 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.11 0.481 . . . . 0.0 111.354 -178.762 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.575 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.95 -23.69 10.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 177.729 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 22.2 t-20 -90.88 -76.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.076 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.556 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.327 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.77 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.537 HD12 ' NZ ' ' B' ' 12' ' ' LYS . 4.5 mp -83.24 13.6 4.12 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.99 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.66 -18.84 61.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.757 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.797 HD11 HG23 ' A' ' 4' ' ' VAL . 26.1 mm -85.17 17.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.9 m -109.41 -32.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.1 -39.65 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.581 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -71.54 -23.5 61.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.889 0.376 . . . . 0.0 110.338 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 12.9 t0 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.894 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.499 ' HE ' ' HA ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.22 -7.31 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.179 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.481 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.95 -29.97 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.722 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.581 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.5 mm-40 -67.73 -4.48 12.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.368 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -120.06 -15.1 8.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.782 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.84 47.06 1.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.471 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.517 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -71.95 -61.42 1.79 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.549 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.482 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 20.5 t80 -109.35 -18.12 13.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.782 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 5.4 mm-40 -59.72 -35.59 74.84 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.01 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 20.3 pt-20 -57.86 -27.53 63.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.011 0.434 . . . . 0.0 110.041 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.542 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -89.94 -38.64 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.901 179.244 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -14.0 62.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.31 0.576 . . . . 0.0 109.759 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.598 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.12 -0.33 16.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.525 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -92.73 -60.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.342 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.15 -18.48 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.347 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.598 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -66.81 -55.32 15.41 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.123 179.353 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.507 ' HE1' ' HE ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -92.53 -5.16 52.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.569 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.597 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.959 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 76.8 mmm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.896 0.379 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.676 ' CH2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -117.52 -89.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 -178.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.646 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -88.48 -26.51 22.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.314 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.906 HG23 HD11 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -39.45 -44.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.334 -1.757 . . . . 0.0 112.44 -178.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.5 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.36 -46.45 1.99 Allowed Glycine 0 CA--C 1.505 -0.564 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.85 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.66 10.48 11.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.452 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.587 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -99.48 -42.06 7.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.083 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.716 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.07 -9.62 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.816 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.595 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -20.25 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.51 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.7 t30 -101.43 -95.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.245 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 2.6 tpp180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.079 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.676 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.4 tttt . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.541 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -92.58 17.85 9.54 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.518 0.675 . . . . 0.0 109.809 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.7 OUTLIER -83.49 -26.64 30.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.704 -1.134 . . . . 0.0 108.773 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.906 HD11 HG23 ' A' ' 4' ' ' VAL . 16.6 mm -72.97 -5.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.706 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -76.1 -36.63 58.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.066 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.87 -40.29 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.587 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.74 -14.04 62.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.265 -179.139 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.635 ' OD2' HG23 ' B' ' 15' ' ' ILE . 4.9 t0 -79.89 -24.31 41.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.06 -7.74 43.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.572 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.587 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -117.58 -29.3 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.468 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.541 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 1.4 mm-40 -64.83 -1.15 1.79 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.224 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -116.19 -44.38 2.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.769 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.86 48.21 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.341 0.591 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.484 ' CG ' ' H ' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -72.51 -56.72 4.95 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.363 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.484 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -121.49 -12.7 8.52 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.497 -1.683 . . . . 0.0 107.917 178.761 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.769 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.3 mm-40 -62.32 -29.87 70.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 113.933 -1.485 . . . . 0.0 110.624 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.52 ' HB3' ' HB1' ' B' ' 24' ' ' ALA . 11.8 pt-20 -75.7 -3.83 36.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.372 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -120.32 -10.98 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.44 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.452 ' HB2' ' CE1' ' B' ' 26' ' ' PHE . 1.0 OUTLIER -101.83 -24.26 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.097 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.642 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.06 3.86 18.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.004 0.431 . . . . 0.0 110.611 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -99.16 -58.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.209 179.217 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.74 -17.08 0.8 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.175 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.642 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -66.73 -49.23 66.67 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 120.151 -0.62 . . . . 0.0 109.938 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.614 ' HE1' ' HE ' ' B' ' 32' ' ' ARG . 0.8 OUTLIER -101.17 -2.6 30.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.443 179.496 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.625 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.019 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 71.9 mmm . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.781 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.52 -88.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.003 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.625 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -92.77 -24.07 18.67 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.206 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.876 HG23 HD11 ' B' ' 15' ' ' ILE . 0.8 OUTLIER -39.78 -44.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.609 -179.144 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -37.33 -47.68 1.53 Allowed Glycine 0 CA--C 1.503 -0.694 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.81 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' HD1' ' H ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -120.86 11.09 11.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.485 178.721 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.1 t80 -97.53 -44.27 6.89 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.14 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.51 -7.55 1.47 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.537 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.646 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.95 -24.7 9.8 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.661 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.5 t30 -86.65 -76.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.249 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.59 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.0 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.813 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.781 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.489 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -93.27 14.12 19.23 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.211 179.64 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -77.32 -12.06 59.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.321 177.496 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.876 HD11 HG23 ' A' ' 4' ' ' VAL . 40.5 mm -88.14 33.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.315 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.7 m -120.39 -39.27 2.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.56 -36.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.577 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.67 -21.83 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.604 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -77.4 -17.34 58.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.316 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -14.69 61.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.281 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.18 -34.17 6.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.145 179.607 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.577 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.0 mm-40 -66.39 -3.81 6.83 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.984 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.492 ' HA ' ' NZ ' ' B' ' 25' ' ' LYS . 85.6 t80 -119.38 -30.93 4.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.989 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' B' ' 28' ' ' GLU . . . -79.82 51.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.455 0.645 . . . . 0.0 110.755 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.492 ' NZ ' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -67.41 -58.12 5.34 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.302 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.489 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -122.08 -15.58 7.72 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 113.246 -1.797 . . . . 0.0 108.327 178.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.654 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 44.0 mm-40 -61.68 -25.35 67.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.511 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.698 ' HB3' ' HB1' ' B' ' 24' ' ' ALA . 8.6 pt-20 -74.14 -2.17 23.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.78 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.551 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 4.8 mm-40 -119.86 -23.65 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 -21.09 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.569 ' O ' ' HD2' ' B' ' 34' ' ' LYS . . . -112.52 12.85 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.06 0.457 . . . . 0.0 110.719 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.671 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -111.37 -59.24 2.0 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.24 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 36' ' ' ASP . . . -53.85 -17.55 2.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.589 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -63.94 -48.66 75.67 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.973 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.624 ' HE1' ' HE ' ' B' ' 32' ' ' ARG . 0.9 OUTLIER -101.38 -3.61 28.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.411 0.624 . . . . 0.0 109.771 178.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.671 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.966 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 82.0 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.814 0.34 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.825 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -112.3 -92.71 0.47 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.094 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.757 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.07 -15.96 32.71 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.696 0.76 . . . . 0.0 109.577 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.786 HG23 HD11 ' B' ' 15' ' ' ILE . 0.9 OUTLIER -45.7 -43.31 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 CA-C-N 114.062 -1.426 . . . . 0.0 112.126 -178.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.483 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -37.59 -43.53 1.15 Allowed Glycine 0 CA--C 1.504 -0.656 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.878 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -121.29 9.27 10.37 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.135 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.661 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -101.26 -40.68 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.567 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.755 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.82 -9.34 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -112.92 -24.17 9.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.294 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 19.9 t30 -94.7 -77.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.432 HH21 ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.886 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.825 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.532 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -100.4 15.05 29.07 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.919 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.9 OUTLIER -79.45 -9.8 59.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.065 177.365 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.786 HD11 HG23 ' A' ' 4' ' ' VAL . 40.3 mm -84.12 22.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.257 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 56.8 m -110.09 -32.2 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.576 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.18 -37.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.532 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -69.27 -23.41 63.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.761 ' OD2' HG23 ' B' ' 15' ' ' ILE . 0.2 OUTLIER -78.94 -15.67 57.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.327 179.376 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -7.61 57.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.083 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.83 -27.41 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.468 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.532 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.3 mm-40 -64.9 -16.09 62.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.021 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 72.2 t80 -97.87 -40.97 8.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.758 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.58 40.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.151 0.5 . . . . 0.0 110.936 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -71.25 -60.26 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.851 0.834 . . . . 0.0 108.838 178.745 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.439 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 10.1 t80 -111.88 -14.99 13.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.418 178.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.758 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.0 mm-40 -63.55 -29.38 70.65 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 113.791 -1.549 . . . . 0.0 110.296 179.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.576 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 17.2 pt-20 -75.1 -7.01 52.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.368 0.604 . . . . 0.0 109.938 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.73 -6.29 9.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.382 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.22 -50.37 3.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.82 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.408 ' HA ' ' CE ' ' B' ' 34' ' ' LYS . . . -115.23 12.12 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.631 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.599 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -108.24 -62.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.499 179.392 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.27 -23.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.485 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.634 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.5 OUTLIER -54.28 -56.36 19.18 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 109.743 179.037 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.634 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -97.8 -2.04 41.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.475 179.003 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.599 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.881 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.482 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 51.5 mmm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.829 0.347 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.35 -90.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.619 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.713 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -90.31 -22.96 21.3 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.18 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.717 HG23 HD11 ' B' ' 15' ' ' ILE . 1.7 p -39.61 -41.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 113.13 -1.85 . . . . 0.0 112.778 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.462 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.39 -50.81 0.96 Allowed Glycine 0 CA--C 1.501 -0.795 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.696 -178.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 12.3 p90 -120.84 11.37 11.1 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.069 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.828 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 2.6 t80 -96.67 -29.83 13.59 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.81 -6.85 47.59 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 121.634 0.73 . . . . 0.0 111.033 -178.794 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.708 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.3 ptm180 -119.82 11.83 11.96 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.828 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -120.82 -87.47 0.64 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.66 -178.046 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.622 HH21 ' HE2' ' A' ' 7' ' ' PHE . 1.1 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.774 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.795 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.487 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -99.73 11.0 40.36 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.966 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -14.2 60.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.735 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.717 HD11 HG23 ' A' ' 4' ' ' VAL . 36.1 mm -80.79 1.13 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 m -81.86 -37.97 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.974 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.39 -38.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.478 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.35 -16.12 63.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.905 0.383 . . . . 0.0 110.934 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.478 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.1 t0 -78.74 -23.3 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.47 -7.95 52.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.478 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.66 -26.85 5.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.507 -179.059 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.443 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.1 mm-40 -64.47 -0.49 1.35 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.621 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -113.97 -48.0 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.013 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.32 48.83 1.55 Allowed 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.543 0.687 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.507 ' CG ' ' H ' ' B' ' 26' ' ' PHE . 4.9 ptmt -79.08 -60.03 2.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.679 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.636 ' CZ ' ' HB2' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -123.51 -8.07 8.03 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 113.709 -1.587 . . . . 0.0 108.898 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.553 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.0 mm-40 -56.43 -36.74 69.32 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.795 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.76 -13.62 61.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -110.8 -12.38 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.426 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.636 ' HB2' ' CZ ' ' B' ' 26' ' ' PHE . 1.5 tpt180 -90.08 -53.47 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.453 ' C ' ' HG2' ' B' ' 34' ' ' LYS . . . -77.85 7.43 5.91 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.677 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -103.32 -63.58 1.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.313 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.29 -23.35 0.87 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.765 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.696 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.2 OUTLIER -55.66 -57.27 12.68 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.307 0.575 . . . . 0.0 109.783 179.086 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.696 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -95.02 -2.99 49.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.697 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.628 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.916 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.38 -91.68 0.5 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.025 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.76 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.38 -16.09 31.8 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.795 0.807 . . . . 0.0 109.316 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.814 HG22 ' HG3' ' A' ' 8' ' ' LYS . 1.4 p -45.93 -42.99 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.226 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -41.06 -40.73 2.48 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.689 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -121.21 9.25 10.41 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.135 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.669 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -103.29 -41.44 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.814 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -60.69 -9.31 3.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.159 0.504 . . . . 0.0 110.845 -179.296 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.89 -20.43 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.282 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.603 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 10.9 t30 -97.02 -78.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.729 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.795 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.28 18.01 17.36 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.314 -0.955 . . . . 0.0 109.8 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -83.8 -11.59 56.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.495 -1.23 . . . . 0.0 108.509 177.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.772 HD11 HG23 ' A' ' 4' ' ' VAL . 32.5 mm -84.63 8.31 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.618 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -91.05 -30.43 16.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.983 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.458 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -120.1 -40.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.577 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.58 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -64.16 -31.43 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 0.0 110.291 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.682 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 9.8 t0 -72.43 -22.77 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.937 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.52 -12.42 60.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.96 179.331 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.508 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -113.26 -35.43 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.254 179.65 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.58 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 21.4 mm-40 -66.74 -12.96 60.72 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.277 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.48 ' CZ ' ' HG3' ' B' ' 27' ' ' GLU . 84.4 t80 -93.06 -37.49 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.771 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.58 48.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.267 0.556 . . . . 0.0 110.903 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.487 ' HD2' ' O ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -75.1 -55.38 5.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.393 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -121.09 -13.29 8.58 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 113.357 -1.747 . . . . 0.0 107.83 178.541 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.771 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 13.9 mm-40 -63.17 -29.43 70.79 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 113.901 -1.499 . . . . 0.0 110.387 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.508 ' HB3' ' HB1' ' B' ' 24' ' ' ALA . 11.2 pt-20 -73.95 -5.89 44.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.13 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.409 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 49.1 mm-40 -120.38 -13.06 8.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.449 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.473 ' HB2' ' CE2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -95.93 -30.89 13.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.91 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.671 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -101.73 -3.81 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.756 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.617 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -93.56 -61.63 1.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.527 179.418 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.67 -18.95 0.79 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.604 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.671 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -65.29 -45.58 83.87 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.026 179.459 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.521 ' HE1' ' NE ' ' B' ' 32' ' ' ARG . 0.9 OUTLIER -104.6 -3.93 23.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.233 179.512 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.027 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 81.8 mmm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.834 0.349 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.841 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.61 -89.49 0.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.783 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -90.48 -22.21 21.48 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 121.87 0.843 . . . . 0.0 109.244 179.042 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.706 HG22 ' HG3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -39.73 -42.67 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 113.582 -1.645 . . . . 0.0 112.69 -177.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.457 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.55 -40.72 0.48 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.48 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -121.95 4.64 9.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.538 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.716 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -97.4 -40.06 8.89 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.518 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -56.95 -11.44 1.48 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.176 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -109.29 -20.28 13.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.716 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 1.4 m-20 -96.7 -84.81 0.36 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.57 -1.65 . . . . 0.0 110.38 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HE ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.651 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.841 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.642 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -114.38 19.7 16.03 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.476 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.566 HD21 ' HZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -83.64 -2.06 55.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.874 178.079 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.659 ' CD1' HG23 ' A' ' 4' ' ' VAL . 27.6 mm -79.79 10.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 12.6 t -93.14 -30.03 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.437 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -120.16 -38.67 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.618 -179.699 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.576 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.58 -19.87 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 0.0 110.794 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -75.28 -15.84 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.159 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -82.14 -16.67 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.644 179.695 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.91 -26.63 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.042 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.541 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 5.5 mm-40 -65.58 -12.34 52.19 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.498 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -77.34 -31.9 54.82 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.145 178.645 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.774 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -85.15 45.03 1.13 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.414 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.503 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -72.63 -61.97 1.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.774 0.797 . . . . 0.0 109.084 179.339 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.405 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 37.5 t80 -107.7 -17.98 13.95 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.13 -1.396 . . . . 0.0 107.575 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.774 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 12.2 mm-40 -57.19 -30.81 64.84 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.811 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 10.9 pt-20 -65.23 -30.1 70.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.341 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.24 -36.3 14.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.305 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -19.66 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.207 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.4 ' C ' ' HG2' ' B' ' 34' ' ' LYS . . . -111.75 12.14 21.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.476 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.714 ' HE ' ' HE1' ' B' ' 35' ' ' TRP . 0.0 OUTLIER -104.3 -66.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.694 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.48 -25.96 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.744 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.665 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 8.5 ptpt -52.39 -56.8 12.54 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.409 0.623 . . . . 0.0 109.741 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.714 ' HE1' ' HE ' ' B' ' 32' ' ' ARG . 1.0 OUTLIER -97.47 -3.22 40.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.559 179.128 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.006 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 77.6 mmm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.773 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -114.27 -97.43 0.44 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -178.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.707 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.54 -17.99 49.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.85 0.833 . . . . 0.0 109.239 178.608 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.811 HG22 ' HG3' ' A' ' 8' ' ' LYS . 2.0 p -45.26 -42.91 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.074 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.487 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.71 -45.03 0.99 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.077 -178.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -121.18 7.43 10.25 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.925 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.694 ' HB3' ' HZ3' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -96.23 -41.21 8.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.576 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.811 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.05 -11.14 7.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.064 0.459 . . . . 0.0 111.259 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.561 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -22.12 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.1 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.604 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 13.6 t30 -89.22 -76.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.8 tpm_? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.831 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.773 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 1.4 tttt . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.639 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -113.52 8.78 17.86 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.731 178.66 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -76.26 -10.61 59.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.357 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.79 HD11 HG23 ' A' ' 4' ' ' VAL . 45.8 mm -83.61 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.27 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -117.94 -35.52 3.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.353 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -114.45 -39.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.588 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.75 -22.99 62.34 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.545 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.617 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -77.39 -14.68 59.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.789 179.082 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -7.77 54.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.887 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.93 -30.65 4.67 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.021 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.588 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.4 mm-40 -68.85 -7.48 34.9 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -89.67 -15.99 31.41 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.044 179.326 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.816 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -78.35 50.82 0.96 Allowed 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.918 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.49 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -68.27 -64.39 0.87 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.833 0.825 . . . . 0.0 108.892 179.095 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.446 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 9.6 t80 -106.45 -17.36 14.29 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.358 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.816 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 3.8 mm-40 -62.41 -28.6 69.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 113.64 -1.618 . . . . 0.0 110.225 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.52 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 16.8 pt-20 -71.58 -2.73 18.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.843 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.52 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 3.0 mm-40 -120.96 3.64 10.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -21.56 8.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.045 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -120.66 2.41 10.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.24 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.676 ' HD2' ' HE1' ' B' ' 35' ' ' TRP . 0.2 OUTLIER -97.6 -58.22 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.206 179.179 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.71 -16.35 0.95 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -67.38 -51.71 48.81 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.439 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.676 ' HE1' ' HD2' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -96.52 -8.38 32.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.247 0.546 . . . . 0.0 110.295 179.469 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.137 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.79 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.17 -88.28 0.61 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.772 -178.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -92.26 -22.58 19.69 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.904 0.859 . . . . 0.0 108.74 178.613 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.888 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -40.57 -49.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 CA-C-N 113.388 -1.733 . . . . 0.0 112.707 -178.102 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.535 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.31 -39.55 0.22 Allowed Glycine 0 CA--C 1.504 -0.609 0 C-N-CA 120.285 -0.959 . . . . 0.0 113.276 -178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 7.3 p90 -121.4 6.78 10.12 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.92 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.8 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -97.65 -38.67 9.43 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.789 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.888 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -63.14 -27.97 69.74 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.006 -179.12 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.737 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -96.3 8.31 44.26 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.8 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 2.2 m-20 -116.17 -89.45 0.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.167 -1.833 . . . . 0.0 111.423 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.629 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.7 tpm_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.848 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.79 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 10.9 tttt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.625 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -115.45 8.1 15.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.402 0.62 . . . . 0.0 109.669 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.483 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -71.03 -15.48 62.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.196 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.689 ' CD1' HG23 ' A' ' 4' ' ' VAL . 29.0 mm -77.61 10.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.699 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m -96.34 -41.04 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.063 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.24 -37.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.715 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.717 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.46 -25.97 67.74 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.96 0.409 . . . . 0.0 110.376 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.554 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.3 t0 -70.34 -21.14 62.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.236 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -7.0 58.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.775 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.717 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.6 -31.43 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.622 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.521 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 1.4 mm-40 -59.04 -13.66 7.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.289 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.574 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 34.6 t80 -120.71 -49.87 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.435 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.641 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -78.75 40.48 0.39 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.554 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -74.9 -57.45 3.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.061 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.554 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 31.2 t80 -116.08 -15.24 11.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.745 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.641 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 9.8 mm-40 -60.21 -29.31 68.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.93 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.754 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 12.7 pt-20 -71.35 -3.35 20.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.044 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.557 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 0.4 OUTLIER -120.84 -0.73 10.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.12 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.507 HH12 ' HB2' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -113.94 -49.29 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.798 -179.155 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.507 ' HB2' HH12 ' B' ' 30' ' ' ARG . . . -111.86 -5.86 14.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.746 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.754 ' HB2' ' HA ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -93.02 -58.78 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.694 0.283 . . . . 0.0 110.864 179.387 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.64 -16.01 0.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -68.44 -55.0 13.37 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.089 179.271 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.43 ' NE1' ' HA ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -92.33 -6.0 51.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.469 179.533 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.625 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.957 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.433 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 89.1 mmm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.914 0.388 . . . . 0.0 111.344 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.785 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.43 -86.85 0.65 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.083 -178.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.636 ' HE2' ' HG2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -94.06 -22.14 18.7 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.838 0.828 . . . . 0.0 108.879 178.122 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.823 HG22 ' CG ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -39.99 -49.19 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.611 -178.627 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.539 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -43.81 -36.47 3.63 Favored Glycine 0 CA--C 1.501 -0.828 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.852 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -118.68 10.8 12.58 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.18 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.581 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -113.04 -47.2 3.05 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.823 ' CG ' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.33 -13.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.639 -179.412 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.606 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.58 -18.32 13.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.514 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 28.5 t-20 -97.76 -85.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' NE ' HG22 ' B' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.383 -0.818 . . . . 0.0 110.794 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.785 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.47 9.06 43.11 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.548 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -70.85 -12.56 61.61 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.239 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.787 HD11 HG23 ' A' ' 4' ' ' VAL . 17.7 mm -70.84 -1.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.523 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.438 ' O ' HD12 ' B' ' 17' ' ' ILE . 4.9 m -95.73 -29.1 14.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.865 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.577 HG22 ' N ' ' B' ' 18' ' ' HIS . 1.2 mp -120.17 -58.04 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.899 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -52.47 -19.31 2.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.225 0.536 . . . . 0.0 110.391 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.489 ' OD2' ' HB2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -74.93 -38.2 61.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.314 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.482 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -62.98 -15.61 56.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.899 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.99 -28.54 10.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.554 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.9 mm-40 -68.14 -4.97 15.53 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 46.5 t80 -120.32 -43.84 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.321 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.701 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -78.79 37.76 0.3 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.227 0.537 . . . . 0.0 111.754 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -70.45 -59.66 2.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.985 0.898 . . . . 0.0 108.72 178.271 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -114.24 -15.63 12.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.847 -1.524 . . . . 0.0 107.54 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.701 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.8 mm-40 -61.49 -23.8 66.15 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.887 -1.506 . . . . 0.0 110.616 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.442 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 25.9 pt-20 -74.0 -1.87 21.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.321 0.581 . . . . 0.0 109.844 179.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 3.0 mm-40 -120.02 -18.9 8.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 30' ' ' ARG . 0.2 OUTLIER -101.55 -54.54 2.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.075 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.663 ' HA ' ' NZ ' ' B' ' 34' ' ' LYS . . . -79.69 6.07 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.134 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.6 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -107.96 -62.44 1.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.687 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.67 -22.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.46 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.696 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.1 OUTLIER -55.62 -58.42 7.89 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.355 0.598 . . . . 0.0 109.989 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.696 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -95.46 -2.86 47.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.954 179.554 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.6 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.067 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 53.6 mmm . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.801 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.99 -88.95 0.61 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.528 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.737 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -91.96 -22.75 19.84 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.576 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.103 HG23 HD11 ' B' ' 15' ' ' ILE . 2.2 p -39.59 -45.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.528 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.531 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -44.09 -41.94 6.44 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.604 -178.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -121.02 13.93 11.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.763 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.591 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -106.77 -45.28 4.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -179.268 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.777 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.74 -5.0 0.78 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.133 0.492 . . . . 0.0 111.258 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.576 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.24 -22.72 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.264 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 13.9 t30 -89.73 -75.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.532 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 2.7 tpm_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.713 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.801 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.3 tttt . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.537 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -102.24 28.02 6.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.684 0.754 . . . . 0.0 109.614 178.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.834 ' HB2' ' HE1' ' B' ' 18' ' ' HIS . 3.8 pp -92.55 -17.67 24.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.101 178.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 1.103 HD11 HG23 ' A' ' 4' ' ' VAL . 16.7 mm -66.54 7.13 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.101 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.453 ' H ' ' C ' ' B' ' 14' ' ' LEU . 0.3 OUTLIER -102.33 -2.86 28.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.647 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.541 HG22 ' N ' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -120.45 -57.77 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.834 ' HE1' ' HB2' ' B' ' 14' ' ' LEU . 19.9 m80 -58.36 -37.14 74.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 122.027 0.918 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.526 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 2.3 t0 -65.0 4.58 0.43 Allowed 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.848 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.32 -14.62 8.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.066 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.514 ' HD2' HG23 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -117.39 -52.65 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.923 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.619 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -46.06 -22.57 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.392 179.664 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.514 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 46.3 t80 -87.94 -38.64 15.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.691 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -79.79 37.13 0.35 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.501 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.516 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -67.56 -59.95 2.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.368 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.516 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 6.5 t80 -112.75 -17.35 12.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.075 -1.421 . . . . 0.0 107.523 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.691 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 10.6 mm-40 -59.98 -27.52 66.91 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.806 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 10.3 pt-20 -66.7 -11.42 54.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.218 0.532 . . . . 0.0 109.722 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 4.7 mm-40 -109.62 -26.57 9.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.079 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -82.87 -15.24 52.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.637 179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.0 -3.82 15.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.386 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.677 ' HD2' ' HE1' ' B' ' 35' ' ' TRP . 0.2 OUTLIER -95.14 -56.77 2.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.15 179.216 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.29 -17.35 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.077 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -66.91 -66.34 0.57 Allowed 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.047 179.416 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.677 ' HE1' ' HD2' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -79.03 -11.11 59.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.409 179.526 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.873 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG2' ' H1 ' ' A' ' 1' ' ' MET . 61.5 mmm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.75 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.11 -92.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 -179.103 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.75 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.65 -18.63 29.14 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 109.065 178.559 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.05 HG23 HD11 ' B' ' 15' ' ' ILE . 1.6 p -44.75 -43.73 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.653 -1.612 . . . . 0.0 112.74 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.493 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.43 -44.75 1.76 Allowed Glycine 0 CA--C 1.503 -0.704 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.914 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.92 9.38 10.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.628 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.844 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -99.48 -33.36 10.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.246 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.78 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -69.7 -11.07 60.56 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.251 0.548 . . . . 0.0 111.12 -178.703 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.68 -1.01 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 176.737 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.844 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -106.22 -88.9 0.44 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.604 -2.089 . . . . 0.0 111.567 -178.601 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.9 tpm_? . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.746 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.696 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 5.4 tttm . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.521 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -96.15 14.2 24.77 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.445 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.7 pp -81.62 -16.04 52.76 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.589 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 1.05 HD11 HG23 ' A' ' 4' ' ' VAL . 21.1 mm -80.1 -4.09 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.691 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -31.47 35.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.242 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.66 -41.17 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.772 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.85 -16.74 64.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.797 0.332 . . . . 0.0 111.108 -179.185 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.511 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.7 t0 -76.7 -23.89 53.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.155 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -10.88 60.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.772 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.16 -26.35 8.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.517 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 3.1 mm-40 -66.06 -9.18 28.4 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -97.29 -44.09 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.74 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -85.34 48.6 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.398 0.618 . . . . 0.0 110.632 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.485 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 6.4 ptmt -75.49 -56.95 4.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.99 -1.004 . . . . 0.0 108.559 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.48 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -121.56 -11.84 8.62 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 113.533 -1.667 . . . . 0.0 107.971 179.115 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.74 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.0 mm-40 -61.98 -25.42 67.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.641 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -81.15 1.68 30.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.262 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.19 -24.72 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.58 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -54.76 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.707 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.745 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -77.94 8.21 4.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.655 ' HE ' ' HE1' ' B' ' 35' ' ' TRP . 0.0 OUTLIER -110.5 -63.23 1.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.116 179.361 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.82 -23.85 0.84 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.237 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.745 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 4.3 ptpt -53.22 -57.63 9.85 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.39 0.614 . . . . 0.0 109.573 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.741 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -97.27 -1.23 45.18 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.591 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.637 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.859 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 70.7 mmm . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.915 0.388 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.82 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.5 -90.65 0.57 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.586 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.8 OUTLIER -88.4 -22.85 23.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.498 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.855 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -41.36 -51.02 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 CA-C-N 113.625 -1.625 . . . . 0.0 112.543 -178.797 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.556 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -34.08 -41.37 0.2 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.29 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -121.32 7.03 10.15 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.658 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -95.18 -55.72 2.97 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -46.95 -20.84 0.16 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.226 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.72 ' HG3' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -90.26 -49.68 6.41 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.429 177.215 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 9.2 t30 -68.7 -81.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.771 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.628 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.82 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.604 HD13 ' O ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -113.85 26.07 10.66 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.708 178.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.6 OUTLIER -89.22 -8.0 54.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.74 177.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.758 HD11 HG23 ' A' ' 4' ' ' VAL . 33.5 mm -84.5 39.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.657 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.446 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -114.65 -59.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.271 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 8.8 tp -98.02 -34.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.563 ' HB3' ' O ' ' B' ' 14' ' ' LEU . 0.0 OUTLIER -63.37 -33.57 75.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.611 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -75.56 -18.65 59.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.673 178.745 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' B' ' 16' ' ' THR . 0.0 OUTLIER -70.42 -11.18 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.019 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -116.85 -33.73 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.4 mm-40 -63.65 -10.49 19.19 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.068 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 57.0 t80 -112.92 -48.98 2.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.75 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -80.66 41.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.131 0.491 . . . . 0.0 111.69 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.537 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -70.05 -59.06 3.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.203 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -117.81 -13.93 10.12 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.774 -1.557 . . . . 0.0 107.721 178.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.75 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.5 mm-40 -59.67 -33.65 71.84 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.851 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.607 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 10.3 pt-20 -61.72 -13.27 21.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.087 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.607 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 3.1 mm-40 -107.23 -23.21 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.294 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -89.88 -9.19 49.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.697 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -117.37 -3.39 11.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.654 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -97.5 -53.26 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.395 179.086 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.15 -10.59 0.88 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.082 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.697 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -74.24 -53.61 9.43 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.15 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.532 ' NE1' ' HA ' ' B' ' 32' ' ' ARG . 0.6 OUTLIER -93.38 -6.24 47.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.344 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.654 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.826 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.467 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 43.1 mmm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.791 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.32 -93.14 0.52 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -178.63 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -83.97 -24.57 30.57 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.337 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.714 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.6 p -40.73 -40.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.236 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.433 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.23 -50.78 0.91 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.785 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -120.77 9.66 10.78 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.241 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.741 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.6 t80 -92.52 -34.75 13.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.719 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -70.23 -7.86 45.49 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.194 -178.145 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.719 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 2.9 ptm180 -115.75 -2.37 12.43 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.741 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 14.9 t30 -106.72 -81.45 0.55 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.255 -1.793 . . . . 0.0 111.288 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.547 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.4 tpm_? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.83 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.791 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.0 tttm . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.473 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -92.82 13.45 20.32 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.754 179.084 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.42 -11.76 59.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.679 ' CD1' HG23 ' A' ' 4' ' ' VAL . 22.7 mm -80.57 9.4 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -88.49 -41.0 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.544 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -119.42 -40.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.749 -179.772 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.697 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -60.35 -28.65 68.35 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.153 -179.681 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.52 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.4 t0 -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -19.69 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.236 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -88.88 -36.3 16.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.492 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.38 5.21 13.17 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.603 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.579 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 27.1 t80 -112.15 -14.33 13.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.86 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.813 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -82.94 53.63 2.48 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.658 0.742 . . . . 0.0 110.514 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.441 ' CG ' ' H ' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -72.34 -55.51 6.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.603 -1.181 . . . . 0.0 108.644 178.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.441 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -121.04 -15.2 8.29 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 113.482 -1.69 . . . . 0.0 107.865 179.003 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.813 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 27.9 mm-40 -63.74 -28.53 69.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.04 -1.437 . . . . 0.0 110.037 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.625 ' HB3' ' HB1' ' B' ' 24' ' ' ALA . 17.0 pt-20 -73.82 -0.17 15.05 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 121.529 0.68 . . . . 0.0 109.635 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 1.9 mm-40 -121.28 0.39 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.652 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.11 -59.71 1.98 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.256 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.503 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -100.16 6.38 44.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.342 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.596 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -107.11 -63.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.226 179.214 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.09 -26.73 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.526 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.636 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.1 OUTLIER -51.02 -57.43 8.65 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.348 0.594 . . . . 0.0 109.606 179.074 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.636 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -96.69 -2.47 44.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.727 179.184 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.596 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.1 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 79.2 mmm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.954 0.407 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.8 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.39 -84.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.594 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.688 ' NZ ' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -101.84 -15.39 16.92 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.569 178.668 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.799 HG22 ' HG3' ' A' ' 8' ' ' LYS . 2.2 p -43.16 -46.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.948 0 CA-C-N 113.862 -1.517 . . . . 0.0 112.265 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.515 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -45.7 -33.35 4.73 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.188 -1.006 . . . . 0.0 112.184 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.66 10.08 10.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.398 178.38 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.525 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -105.97 -43.07 4.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.799 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -64.88 -11.23 35.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.24 0.543 . . . . 0.0 110.854 -179.147 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.592 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -112.1 -6.56 14.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.899 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.525 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 59.3 t-20 -107.28 -78.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.021 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.4 tpm_? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.937 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.8 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.489 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -85.26 19.4 2.27 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.781 -0.767 . . . . 0.0 110.323 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.412 HD12 ' CE1' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -79.69 -15.34 57.73 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.739 177.809 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.727 ' CD1' HG23 ' A' ' 4' ' ' VAL . 22.3 mm -75.64 2.46 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.625 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.82 -24.62 13.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.586 178.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.581 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 1.2 mm -120.39 -63.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.227 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.577 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -51.9 -19.26 1.66 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.108 0.48 . . . . 0.0 110.61 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.517 ' OD1' ' HA ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER -72.23 -42.12 66.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.214 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.581 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -56.66 -21.78 29.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.577 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.14 -27.64 14.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.822 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.6 mm-40 -78.08 0.69 23.71 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.888 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 56.1 t80 -110.09 -18.48 13.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.959 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.782 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -81.84 48.44 1.22 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.399 0.619 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.537 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -74.82 -61.34 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.273 178.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.537 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 17.8 t80 -110.73 -13.16 14.22 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.292 -1.322 . . . . 0.0 107.624 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.782 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 5.7 mm-40 -60.99 -27.71 68.5 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.638 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.591 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 8.5 pt-20 -71.02 -8.16 51.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.955 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.591 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 0.9 OUTLIER -109.76 -36.16 5.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.272 179.672 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.443 ' HE ' ' HB3' ' B' ' 30' ' ' ARG . 0.1 OUTLIER -71.26 -11.82 61.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.693 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.592 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -120.33 5.69 10.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.577 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.618 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -96.02 -57.76 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.902 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.93 -16.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.592 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -67.56 -57.72 5.98 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.234 179.405 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.46 ' NE1' ' HA ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -90.41 -6.06 55.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.619 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.618 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.011 -179.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 74.8 mmm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.804 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.57 -88.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.352 -178.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.59 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -93.01 -21.4 19.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.058 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.708 HG23 ' CD1' ' B' ' 15' ' ' ILE . 0.5 OUTLIER -40.13 -41.19 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 CA-C-N 113.386 -1.734 . . . . 0.0 112.362 -179.049 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.441 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.38 -48.22 1.18 Allowed Glycine 0 CA--C 1.504 -0.631 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.927 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -120.95 9.66 10.66 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.253 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.583 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.9 t80 -95.91 -42.08 8.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.358 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.67 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.98 -8.84 5.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.148 0.499 . . . . 0.0 111.521 -178.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.632 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -19.69 13.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.539 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.583 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 19.6 t30 -96.73 -88.57 0.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.387 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' NH2' ' HB ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.701 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.804 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.53 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.23 14.12 21.23 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.471 178.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -75.28 -15.43 60.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.71 177.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.708 ' CD1' HG23 ' A' ' 4' ' ' VAL . 11.1 mm -78.79 16.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 51.5 m -94.36 -47.18 6.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.561 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.546 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -117.09 -38.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.232 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.723 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -58.35 -23.25 56.28 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 109.796 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.539 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.8 t0 -76.54 -34.13 58.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.554 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -23.75 66.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.531 0.681 . . . . 0.0 109.328 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.723 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -90.42 -37.57 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.416 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 6.0 mm-40 -79.04 6.84 8.46 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.514 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -120.47 -13.71 8.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.508 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.799 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -82.25 54.88 2.68 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.9 0.857 . . . . 0.0 110.586 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.521 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -81.89 -51.46 8.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.061 -1.427 . . . . 0.0 108.093 178.633 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.73 -19.11 7.49 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 113.32 -1.764 . . . . 0.0 108.422 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.799 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 10.1 mm-40 -54.17 -24.71 19.13 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.912 -1.495 . . . . 0.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 0.3 OUTLIER -65.88 -39.36 90.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.491 178.624 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -76.98 -37.84 54.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.022 178.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.449 ' N ' ' HG2' ' B' ' 29' ' ' GLU . 0.1 OUTLIER -67.05 -20.84 65.9 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 179.449 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.712 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -108.48 11.47 26.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.075 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.619 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -106.67 -62.96 1.33 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.437 179.661 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.443 ' HA ' ' OXT' ' B' ' 36' ' ' ASP . . . -47.19 -23.58 0.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.727 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.712 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 14.1 ptpt -55.37 -56.53 19.05 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.329 0.585 . . . . 0.0 109.852 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.591 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -97.53 -2.4 41.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.032 179.415 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.619 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.086 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.498 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.2 mmm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.912 0.387 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.809 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.95 -86.87 0.65 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.657 ' HE3' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -97.86 -20.49 17.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.749 HG23 HD11 ' B' ' 15' ' ' ILE . 0.8 OUTLIER -40.2 -41.34 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.699 -178.458 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.465 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -40.13 -43.33 2.59 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.487 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -121.22 9.43 10.44 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.531 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.657 ' CD2' ' HE3' ' A' ' 3' ' ' LYS . 1.4 t80 -98.46 -44.15 6.61 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.26 -8.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.083 0.468 . . . . 0.0 111.232 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.555 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -24.65 10.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.576 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 3.4 t-20 -91.57 -87.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.059 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.726 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.809 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.647 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -111.88 15.78 20.65 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.385 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -76.01 -11.35 59.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.716 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.749 HD11 HG23 ' A' ' 4' ' ' VAL . 32.9 mm -83.53 26.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -120.21 -31.41 4.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.526 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -38.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.567 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -72.4 -23.8 61.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.019 0.437 . . . . 0.0 109.847 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.522 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -74.89 -15.35 60.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.881 178.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -17.14 58.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.99 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.56 -28.29 10.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.972 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.3 mm-40 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.671 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.44 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 58.2 mmm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.711 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.05 -88.38 0.62 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.77 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.901 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.8 OUTLIER -92.0 -23.27 19.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.436 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.734 HG23 HD11 ' B' ' 15' ' ' ILE . 1.4 p -39.16 -41.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 113.075 -1.875 . . . . 0.0 112.877 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.461 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.31 -51.85 1.31 Allowed Glycine 0 CA--C 1.501 -0.819 0 C-N-CA 120.331 -0.937 . . . . 0.0 112.89 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.49 ' HD1' ' H ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -120.87 14.37 11.6 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.018 178.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.762 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 5.6 t80 -98.54 -32.71 11.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.729 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -71.47 -10.1 59.24 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.423 0.63 . . . . 0.0 112.133 -178.01 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.729 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.6 ptm180 -110.5 -1.99 16.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.762 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.5 t30 -110.48 -86.03 0.54 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.559 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.631 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.901 ' HE2' ' HE2' ' A' ' 3' ' ' LYS . 5.2 tttt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.423 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.5 OUTLIER -93.08 13.16 21.71 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.622 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -77.22 -12.5 59.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 177.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.734 HD11 HG23 ' A' ' 4' ' ' VAL . 41.9 mm -87.38 36.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 -36.01 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.419 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.95 -37.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.579 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -69.34 -20.39 63.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.147 0.499 . . . . 0.0 110.089 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.54 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.0 t0 -71.27 -23.66 62.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.117 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -3.64 29.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.579 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.1 -36.17 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.56 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 71.2 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.81 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.56 -90.41 0.58 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.568 -178.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.613 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -88.91 -21.44 23.61 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -44.54 -41.06 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.868 -178.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.461 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -41.72 -41.08 3.24 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.517 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.23 10.06 10.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.691 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -101.46 -47.21 4.75 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -58.64 -9.42 1.7 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.979 0.419 . . . . 0.0 111.833 -178.565 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.543 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.98 -23.23 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.109 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 7.3 t30 -88.18 -74.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.924 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.621 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 2.8 tpm_? . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.746 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.81 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.485 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.48 21.79 6.82 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.22 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.471 HD21 ' HZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -83.08 -7.96 59.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.152 178.346 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.685 HD11 HG23 ' A' ' 4' ' ' VAL . 34.9 mm -83.55 29.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -120.45 -30.68 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.505 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.01 -38.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.575 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -71.16 -27.8 63.81 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 110.159 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.621 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -72.64 -13.88 61.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -18.34 37.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.237 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.575 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.52 -21.3 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.908 179.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.476 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.6 mm-40 . . . . . 0 N--CA 1.45 -0.452 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.65 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.491 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 76.2 mmm . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.765 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.1 -90.02 0.59 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.499 -178.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.621 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -89.68 -23.96 21.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.235 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.842 HG23 HD11 ' B' ' 15' ' ' ILE . 0.9 OUTLIER -39.72 -44.84 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.461 -1.7 . . . . 0.0 112.276 -179.109 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.511 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.84 -44.72 1.96 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.879 -178.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -120.95 10.39 10.82 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.746 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.625 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -100.22 -43.45 6.29 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.79 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.98 -7.46 3.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -178.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.56 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -113.06 -17.39 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.625 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.3 t-20 -94.59 -77.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.517 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.4 tpm_? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.711 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.765 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 9.6 tttt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.402 ' O ' HG22 ' B' ' 16' ' ' THR . 2.5 mp -97.21 22.58 8.42 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.645 0.736 . . . . 0.0 109.736 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.3 pp -88.16 -12.68 43.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.852 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 4' ' ' VAL . 49.0 mm -80.4 8.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.014 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.402 HG22 ' O ' ' B' ' 13' ' ' LEU . 6.6 t -98.53 -30.71 12.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 0.4 OUTLIER -120.45 -38.8 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.582 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -68.45 -21.18 64.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 4.5 t0 -75.06 -17.81 60.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.222 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -73.33 -9.55 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.535 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.7 -36.53 4.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.464 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.582 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 12.4 mm-40 . . . . . 0 N--CA 1.448 -0.564 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.24 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 69.5 mmm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.849 0.357 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.77 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.22 -86.03 0.65 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -178.73 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.655 ' HZ1' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -98.88 -20.65 16.71 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.501 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 HD11 ' B' ' 15' ' ' ILE . 2.2 p -39.6 -41.84 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 113.429 -1.714 . . . . 0.0 112.351 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -42.08 -43.45 4.46 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.411 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -120.73 10.37 10.97 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.486 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.623 ' CD2' HG21 ' B' ' 15' ' ' ILE . 1.3 t80 -97.68 -47.35 5.65 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.743 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.74 -7.24 1.49 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.11 0.481 . . . . 0.0 111.354 -178.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.575 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.95 -23.69 10.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 177.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.487 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 22.2 t-20 -90.88 -76.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.076 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.556 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.327 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.77 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.537 HD12 ' NZ ' ' B' ' 12' ' ' LYS . 4.5 mp -83.24 13.6 4.12 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.99 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.66 -18.84 61.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.757 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.797 HD11 HG23 ' A' ' 4' ' ' VAL . 26.1 mm -85.17 17.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.9 m -109.41 -32.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.1 -39.65 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.581 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -71.54 -23.5 61.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.889 0.376 . . . . 0.0 110.338 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 12.9 t0 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.894 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.499 ' HE ' ' HA ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.22 -7.31 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.179 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.481 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.95 -29.97 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.722 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.581 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.5 mm-40 . . . . . 0 N--CA 1.451 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.368 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.47 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 76.8 mmm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.896 0.379 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.676 ' CH2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -117.52 -89.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 -178.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.646 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -88.48 -26.51 22.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.314 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.906 HG23 HD11 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -39.45 -44.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.334 -1.757 . . . . 0.0 112.44 -178.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.5 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.36 -46.45 1.99 Allowed Glycine 0 CA--C 1.505 -0.564 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.85 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.66 10.48 11.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.452 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.587 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -99.48 -42.06 7.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.083 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.716 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.07 -9.62 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.816 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.595 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -20.25 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.51 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.7 t30 -101.43 -95.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.245 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.468 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 2.6 tpp180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.079 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.676 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.4 tttt . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.541 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -92.58 17.85 9.54 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.518 0.675 . . . . 0.0 109.809 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.7 OUTLIER -83.49 -26.64 30.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.704 -1.134 . . . . 0.0 108.773 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.906 HD11 HG23 ' A' ' 4' ' ' VAL . 16.6 mm -72.97 -5.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.706 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -76.1 -36.63 58.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.066 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.87 -40.29 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.587 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.74 -14.04 62.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.265 -179.139 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.635 ' OD2' HG23 ' B' ' 15' ' ' ILE . 4.9 t0 -79.89 -24.31 41.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.06 -7.74 43.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.572 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.587 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -117.58 -29.3 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.468 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.541 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 1.4 mm-40 . . . . . 0 N--CA 1.449 -0.495 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.224 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 71.9 mmm . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.781 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.52 -88.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.003 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.625 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -92.77 -24.07 18.67 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.876 HG23 HD11 ' B' ' 15' ' ' ILE . 0.8 OUTLIER -39.78 -44.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.609 -179.144 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -37.33 -47.68 1.53 Allowed Glycine 0 CA--C 1.503 -0.694 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.81 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.41 ' HD1' ' H ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -120.86 11.09 11.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.485 178.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.1 t80 -97.53 -44.27 6.89 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.14 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.51 -7.55 1.47 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.537 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.646 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.95 -24.7 9.8 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.661 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.5 t30 -86.65 -76.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.249 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.59 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.0 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.813 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.781 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.489 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -93.27 14.12 19.23 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.211 179.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -77.32 -12.06 59.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.321 177.496 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.876 HD11 HG23 ' A' ' 4' ' ' VAL . 40.5 mm -88.14 33.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.315 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.7 m -120.39 -39.27 2.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.56 -36.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.577 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.67 -21.83 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.604 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -77.4 -17.34 58.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.316 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -14.69 61.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.281 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.18 -34.17 6.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.145 179.607 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.577 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.0 mm-40 . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.984 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.487 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 82.0 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.814 0.34 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.825 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -112.3 -92.71 0.47 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.757 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.07 -15.96 32.71 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.696 0.76 . . . . 0.0 109.577 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.786 HG23 HD11 ' B' ' 15' ' ' ILE . 0.9 OUTLIER -45.7 -43.31 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 CA-C-N 114.062 -1.426 . . . . 0.0 112.126 -178.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.483 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -37.59 -43.53 1.15 Allowed Glycine 0 CA--C 1.504 -0.656 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.878 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -121.29 9.27 10.37 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.135 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.661 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -101.26 -40.68 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.567 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.755 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.82 -9.34 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.522 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -112.92 -24.17 9.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.294 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 15.2 t-20 -94.7 -77.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.432 HH21 ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.886 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.825 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.532 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -100.4 15.05 29.07 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.919 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.9 OUTLIER -79.45 -9.8 59.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.065 177.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.786 HD11 HG23 ' A' ' 4' ' ' VAL . 40.3 mm -84.12 22.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.257 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 56.8 m -110.09 -32.2 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.576 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.18 -37.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.532 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -69.27 -23.41 63.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.761 ' OD2' HG23 ' B' ' 15' ' ' ILE . 0.2 OUTLIER -78.94 -15.67 57.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.327 179.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -7.61 57.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.083 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.83 -27.41 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.468 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.532 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.3 mm-40 . . . . . 0 N--CA 1.45 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.021 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.482 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 51.5 mmm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.829 0.347 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.35 -90.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.619 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.713 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -90.31 -22.96 21.3 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.18 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.717 HG23 HD11 ' B' ' 15' ' ' ILE . 1.7 p -39.61 -41.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 113.13 -1.85 . . . . 0.0 112.778 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.462 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.39 -50.81 0.96 Allowed Glycine 0 CA--C 1.501 -0.795 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.696 -178.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.422 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 12.3 p90 -120.84 11.37 11.1 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.069 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.828 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 2.6 t80 -96.67 -29.83 13.59 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.81 -6.85 47.59 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 121.634 0.73 . . . . 0.0 111.033 -178.794 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.708 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.3 ptm180 -119.82 11.83 11.96 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.828 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -120.82 -87.47 0.64 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.66 -178.046 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.622 HH21 ' HE2' ' A' ' 7' ' ' PHE . 1.1 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.774 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.795 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.487 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -99.73 11.0 40.36 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.966 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -14.2 60.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.735 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.717 HD11 HG23 ' A' ' 4' ' ' VAL . 36.1 mm -80.79 1.13 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 m -81.86 -37.97 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.974 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.39 -38.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.478 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.35 -16.12 63.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.905 0.383 . . . . 0.0 110.934 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.478 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.1 t0 -78.74 -23.3 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.47 -7.95 52.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.478 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.66 -26.85 5.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.507 -179.059 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.443 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.1 mm-40 . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.621 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.38 -91.68 0.5 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.025 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.76 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.38 -16.09 31.8 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.795 0.807 . . . . 0.0 109.316 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.814 HG22 ' HG3' ' A' ' 8' ' ' LYS . 1.4 p -45.93 -42.99 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.226 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -41.06 -40.73 2.48 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.689 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -121.21 9.25 10.41 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.135 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.669 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -103.29 -41.44 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.814 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -60.69 -9.31 3.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.159 0.504 . . . . 0.0 110.845 -179.296 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.89 -20.43 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.282 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.603 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 5.3 t-20 -97.02 -78.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.729 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.795 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.28 18.01 17.36 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.314 -0.955 . . . . 0.0 109.8 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -83.8 -11.59 56.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.495 -1.23 . . . . 0.0 108.509 177.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.772 HD11 HG23 ' A' ' 4' ' ' VAL . 32.5 mm -84.63 8.31 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.618 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -91.05 -30.43 16.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.983 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.458 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -120.1 -40.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.577 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.58 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -64.16 -31.43 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 0.0 110.291 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.682 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 9.8 t0 -72.43 -22.77 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.937 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.52 -12.42 60.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.96 179.331 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.508 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -113.26 -35.43 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.254 179.65 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.58 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 21.4 mm-40 . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.277 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 81.8 mmm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.834 0.349 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.841 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.61 -89.49 0.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.783 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -90.48 -22.21 21.48 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 121.87 0.843 . . . . 0.0 109.244 179.042 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.706 HG22 ' HG3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -39.73 -42.67 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 113.582 -1.645 . . . . 0.0 112.69 -177.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.457 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.55 -40.72 0.48 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.48 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -121.95 4.64 9.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.538 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.716 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -97.4 -40.06 8.89 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.518 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -56.95 -11.44 1.48 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.176 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -109.29 -20.28 13.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.716 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -96.7 -84.81 0.36 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.57 -1.65 . . . . 0.0 110.38 178.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HE ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.651 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.841 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.642 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -114.38 19.7 16.03 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.476 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.566 HD21 ' HZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -83.64 -2.06 55.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.874 178.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.659 ' CD1' HG23 ' A' ' 4' ' ' VAL . 27.6 mm -79.79 10.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 12.6 t -93.14 -30.03 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.437 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -120.16 -38.67 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.618 -179.699 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.576 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.58 -19.87 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 0.0 110.794 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -75.28 -15.84 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.159 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -82.14 -16.67 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.644 179.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.91 -26.63 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.042 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.541 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 5.5 mm-40 . . . . . 0 N--CA 1.441 -0.916 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.498 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.458 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 77.6 mmm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.773 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -114.27 -97.43 0.44 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -178.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.707 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.54 -17.99 49.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.85 0.833 . . . . 0.0 109.239 178.608 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.811 HG22 ' HG3' ' A' ' 8' ' ' LYS . 2.0 p -45.26 -42.91 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.074 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.487 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.71 -45.03 0.99 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.077 -178.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -121.18 7.43 10.25 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.925 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.694 ' HB3' ' HZ3' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -96.23 -41.21 8.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.576 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.811 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.05 -11.14 7.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.064 0.459 . . . . 0.0 111.259 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.561 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -22.12 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.1 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.604 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 5.2 t-20 -89.22 -76.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.8 tpm_? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.831 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.773 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 1.4 tttt . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.639 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -113.52 8.78 17.86 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.731 178.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -76.26 -10.61 59.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.357 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.79 HD11 HG23 ' A' ' 4' ' ' VAL . 45.8 mm -83.61 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.27 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -117.94 -35.52 3.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.353 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -114.45 -39.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.588 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.75 -22.99 62.34 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.545 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.617 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -77.39 -14.68 59.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.789 179.082 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -7.77 54.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.887 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.93 -30.65 4.67 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.021 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.588 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.4 mm-40 . . . . . 0 N--CA 1.441 -0.887 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.79 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.17 -88.28 0.61 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.772 -178.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -92.26 -22.58 19.69 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.904 0.859 . . . . 0.0 108.74 178.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.888 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -40.57 -49.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 CA-C-N 113.388 -1.733 . . . . 0.0 112.707 -178.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.535 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.31 -39.55 0.22 Allowed Glycine 0 CA--C 1.504 -0.609 0 C-N-CA 120.285 -0.959 . . . . 0.0 113.276 -178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 7.3 p90 -121.4 6.78 10.12 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.92 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.8 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -97.65 -38.67 9.43 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.888 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -63.14 -27.97 69.74 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.006 -179.12 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.737 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -96.3 8.31 44.26 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.8 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 2.2 m-20 -116.17 -89.45 0.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.167 -1.833 . . . . 0.0 111.423 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.629 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.7 tpm_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.848 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.79 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 10.9 tttt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.625 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -115.45 8.1 15.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.402 0.62 . . . . 0.0 109.669 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.483 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -71.03 -15.48 62.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.196 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.689 ' CD1' HG23 ' A' ' 4' ' ' VAL . 29.0 mm -77.61 10.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.699 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m -96.34 -41.04 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.063 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.24 -37.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.715 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.717 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.46 -25.97 67.74 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.96 0.409 . . . . 0.0 110.376 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.554 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.3 t0 -70.34 -21.14 62.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.236 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -7.0 58.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.775 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.717 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.6 -31.43 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.622 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.521 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 1.4 mm-40 . . . . . 0 N--CA 1.446 -0.639 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.433 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 89.1 mmm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.914 0.388 . . . . 0.0 111.344 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.785 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.43 -86.85 0.65 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.083 -178.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.636 ' HE2' ' HG2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -94.06 -22.14 18.7 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.838 0.828 . . . . 0.0 108.879 178.122 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.823 HG22 ' CG ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -39.99 -49.19 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.611 -178.627 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.539 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -43.81 -36.47 3.63 Favored Glycine 0 CA--C 1.501 -0.828 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.852 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -118.68 10.8 12.58 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.18 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.581 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -113.04 -47.2 3.05 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.823 ' CG ' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.33 -13.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.639 -179.412 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.606 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.58 -18.32 13.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.514 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 9.5 t30 -97.76 -85.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.505 ' NE ' HG22 ' B' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.383 -0.818 . . . . 0.0 110.794 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.785 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.47 9.06 43.11 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.548 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -70.85 -12.56 61.61 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.239 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.787 HD11 HG23 ' A' ' 4' ' ' VAL . 17.7 mm -70.84 -1.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.523 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.438 ' O ' HD12 ' B' ' 17' ' ' ILE . 4.9 m -95.73 -29.1 14.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.865 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.577 HG22 ' N ' ' B' ' 18' ' ' HIS . 1.2 mp -120.17 -58.04 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.899 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -52.47 -19.31 2.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.225 0.536 . . . . 0.0 110.391 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.489 ' OD2' ' HB2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -74.93 -38.2 61.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.314 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.482 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -62.98 -15.61 56.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.899 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.99 -28.54 10.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.554 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.9 mm-40 . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 53.6 mmm . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.801 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.99 -88.95 0.61 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.528 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.737 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -91.96 -22.75 19.84 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.103 HG23 HD11 ' B' ' 15' ' ' ILE . 2.2 p -39.59 -45.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.528 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.531 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -44.09 -41.94 6.44 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.604 -178.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -121.02 13.93 11.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.763 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.591 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -106.77 -45.28 4.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -179.268 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.777 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.74 -5.0 0.78 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.133 0.492 . . . . 0.0 111.258 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.576 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.24 -22.72 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.264 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 13.9 t30 -89.73 -75.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.532 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 2.7 tpm_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.713 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.801 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.3 tttt . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.537 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -102.24 28.02 6.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.684 0.754 . . . . 0.0 109.614 178.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.834 ' HB2' ' HE1' ' B' ' 18' ' ' HIS . 3.8 pp -92.55 -17.67 24.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.101 178.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 1.103 HD11 HG23 ' A' ' 4' ' ' VAL . 16.7 mm -66.54 7.13 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.101 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.453 ' H ' ' C ' ' B' ' 14' ' ' LEU . 0.3 OUTLIER -102.33 -2.86 28.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.541 HG22 ' N ' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -120.45 -57.77 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.834 ' HE1' ' HB2' ' B' ' 14' ' ' LEU . 19.9 m80 -58.36 -37.14 74.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 122.027 0.918 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.526 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 2.3 t0 -65.0 4.58 0.43 Allowed 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.848 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.32 -14.62 8.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.066 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.514 ' HD2' HG23 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -117.39 -52.65 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.923 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.619 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.392 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG2' ' H1 ' ' A' ' 1' ' ' MET . 61.5 mmm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.75 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.11 -92.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 -179.103 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.75 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.65 -18.63 29.14 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 109.065 178.559 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.05 HG23 HD11 ' B' ' 15' ' ' ILE . 1.6 p -44.75 -43.73 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.653 -1.612 . . . . 0.0 112.74 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.493 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.43 -44.75 1.76 Allowed Glycine 0 CA--C 1.503 -0.704 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.914 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.92 9.38 10.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.628 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.844 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -99.48 -33.36 10.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.246 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.78 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -69.7 -11.07 60.56 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.251 0.548 . . . . 0.0 111.12 -178.703 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.68 -1.01 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 176.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.844 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -106.22 -88.9 0.44 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.604 -2.089 . . . . 0.0 111.567 -178.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.9 tpm_? . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.746 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.696 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 5.4 tttm . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.521 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -96.15 14.2 24.77 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.445 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.7 pp -81.62 -16.04 52.76 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.589 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 1.05 HD11 HG23 ' A' ' 4' ' ' VAL . 21.1 mm -80.1 -4.09 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.691 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -31.47 35.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.242 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.66 -41.17 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.772 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.85 -16.74 64.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.797 0.332 . . . . 0.0 111.108 -179.185 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.511 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.7 t0 -76.7 -23.89 53.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.155 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -10.88 60.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.772 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.16 -26.35 8.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.517 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 3.1 mm-40 . . . . . 0 N--CA 1.448 -0.532 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 70.7 mmm . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.915 0.388 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.82 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.5 -90.65 0.57 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.586 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.8 OUTLIER -88.4 -22.85 23.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.498 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.855 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -41.36 -51.02 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 CA-C-N 113.625 -1.625 . . . . 0.0 112.543 -178.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.556 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -34.08 -41.37 0.2 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.29 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -121.32 7.03 10.15 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.658 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -95.18 -55.72 2.97 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -46.95 -20.84 0.16 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.226 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.72 ' HG3' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -90.26 -49.68 6.41 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.429 177.215 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 9.2 t30 -68.7 -81.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.771 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.628 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.82 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.604 HD13 ' O ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -113.85 26.07 10.66 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.708 178.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.6 OUTLIER -89.22 -8.0 54.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.74 177.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.758 HD11 HG23 ' A' ' 4' ' ' VAL . 33.5 mm -84.5 39.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.657 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.446 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -114.65 -59.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.271 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 8.8 tp -98.02 -34.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.563 ' HB3' ' O ' ' B' ' 14' ' ' LEU . 0.0 OUTLIER -63.37 -33.57 75.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.611 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -75.56 -18.65 59.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.673 178.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' B' ' 16' ' ' THR . 0.0 OUTLIER -70.42 -11.18 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.019 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -116.85 -33.73 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.4 mm-40 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.068 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.467 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 43.1 mmm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.791 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.32 -93.14 0.52 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -178.63 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -83.97 -24.57 30.57 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.337 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.714 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.6 p -40.73 -40.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.236 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.433 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.23 -50.78 0.91 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.785 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -120.77 9.66 10.78 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.241 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.741 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.6 t80 -92.52 -34.75 13.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.719 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -70.23 -7.86 45.49 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.194 -178.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.719 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 2.9 ptm180 -115.75 -2.37 12.43 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.741 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 14.9 t30 -106.72 -81.45 0.55 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.255 -1.793 . . . . 0.0 111.288 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.547 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.4 tpm_? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.83 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.791 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.0 tttm . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.473 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -92.82 13.45 20.32 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.754 179.084 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.42 -11.76 59.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.679 ' CD1' HG23 ' A' ' 4' ' ' VAL . 22.7 mm -80.57 9.4 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -88.49 -41.0 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.544 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -119.42 -40.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.749 -179.772 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.697 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -60.35 -28.65 68.35 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.153 -179.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.52 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.4 t0 -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -19.69 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.236 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -88.88 -36.3 16.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.492 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.437 -1.117 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.603 178.434 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.471 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 79.2 mmm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.954 0.407 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.8 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.39 -84.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.688 ' NZ ' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -101.84 -15.39 16.92 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.569 178.668 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.799 HG22 ' HG3' ' A' ' 8' ' ' LYS . 2.2 p -43.16 -46.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.948 0 CA-C-N 113.862 -1.517 . . . . 0.0 112.265 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.515 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -45.7 -33.35 4.73 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.188 -1.006 . . . . 0.0 112.184 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.66 10.08 10.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.398 178.38 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.525 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -105.97 -43.07 4.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.799 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -64.88 -11.23 35.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.24 0.543 . . . . 0.0 110.854 -179.147 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.592 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -112.1 -6.56 14.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.899 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.525 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 59.3 t-20 -107.28 -78.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.021 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.4 tpm_? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.937 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.8 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.489 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -85.26 19.4 2.27 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.781 -0.767 . . . . 0.0 110.323 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.412 HD12 ' CE1' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -79.69 -15.34 57.73 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.739 177.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.727 ' CD1' HG23 ' A' ' 4' ' ' VAL . 22.3 mm -75.64 2.46 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.625 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.82 -24.62 13.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.586 178.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.581 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 1.2 mm -120.39 -63.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.227 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.577 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -51.9 -19.26 1.66 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.108 0.48 . . . . 0.0 110.61 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.517 ' OD1' ' HA ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER -72.23 -42.12 66.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.214 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.581 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -56.66 -21.78 29.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.577 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.14 -27.64 14.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.822 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.6 mm-40 . . . . . 0 N--CA 1.445 -0.712 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.888 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.476 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 74.8 mmm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.804 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.57 -88.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.352 -178.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.59 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -93.01 -21.4 19.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.058 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.708 HG23 ' CD1' ' B' ' 15' ' ' ILE . 0.5 OUTLIER -40.13 -41.19 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 CA-C-N 113.386 -1.734 . . . . 0.0 112.362 -179.049 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.441 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.38 -48.22 1.18 Allowed Glycine 0 CA--C 1.504 -0.631 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.927 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -120.95 9.66 10.66 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.253 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.583 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.9 t80 -95.91 -42.08 8.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.358 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.67 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.98 -8.84 5.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.148 0.499 . . . . 0.0 111.521 -178.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.632 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -19.69 13.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.539 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.583 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 19.6 t30 -96.73 -88.57 0.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.387 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' NH2' ' HB ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.701 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.804 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.53 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.23 14.12 21.23 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.471 178.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -75.28 -15.43 60.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.71 177.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.708 ' CD1' HG23 ' A' ' 4' ' ' VAL . 11.1 mm -78.79 16.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 51.5 m -94.36 -47.18 6.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.561 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.546 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -117.09 -38.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.232 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.723 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -58.35 -23.25 56.28 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 109.796 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . 0.539 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.8 t0 -76.54 -34.13 58.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.554 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -23.75 66.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.531 0.681 . . . . 0.0 109.328 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.723 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -90.42 -37.57 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.416 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 6.0 mm-40 . . . . . 0 N--CA 1.436 -1.152 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.514 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.2 mmm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.912 0.387 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.809 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.95 -86.87 0.65 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 -178.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.657 ' HE3' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -97.86 -20.49 17.47 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.903 0.859 . . . . 0.0 108.882 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.749 HG23 HD11 ' B' ' 15' ' ' ILE . 0.8 OUTLIER -40.2 -41.34 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.699 -178.458 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.465 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -40.13 -43.33 2.59 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.487 -178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -121.22 9.43 10.44 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.531 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.657 ' CD2' ' HE3' ' A' ' 3' ' ' LYS . 1.4 t80 -98.46 -44.15 6.61 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.26 -8.8 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.083 0.468 . . . . 0.0 111.232 -178.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.555 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -24.65 10.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 177.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.576 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 3.4 t-20 -91.57 -87.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.059 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.726 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.809 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.647 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -111.88 15.78 20.65 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.385 178.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -76.01 -11.35 59.93 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.716 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.749 HD11 HG23 ' A' ' 4' ' ' VAL . 32.9 mm -83.53 26.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -120.21 -31.41 4.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.526 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.81 -38.43 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.567 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -72.4 -23.8 61.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.019 0.437 . . . . 0.0 109.847 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.522 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -74.89 -15.35 60.71 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.881 178.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -17.14 58.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.99 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.56 -28.29 10.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.972 179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.3 mm-40 -70.74 -2.01 13.27 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.671 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 48.0 t80 -115.09 -20.35 10.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.534 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.782 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.85 47.57 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.187 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.541 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -71.04 -59.69 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.846 0.832 . . . . 0.0 108.791 178.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.541 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 11.5 t80 -113.73 -13.11 12.69 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.035 -1.439 . . . . 0.0 107.319 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.782 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.6 mm-40 -65.19 -25.02 67.54 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 113.706 -1.588 . . . . 0.0 110.516 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.446 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 17.4 pt-20 -79.3 -3.81 47.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.325 0.584 . . . . 0.0 109.666 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 0.5 OUTLIER -121.7 -8.97 8.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.093 179.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.45 ' HD2' ' OE1' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -106.53 -50.3 3.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.643 -178.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.724 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -104.12 9.97 36.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.515 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -111.2 -59.86 1.91 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.145 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.48 -20.81 0.79 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.237 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.724 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 14.1 ptpt -56.15 -57.69 11.09 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.366 0.603 . . . . 0.0 109.767 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.703 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -96.66 -3.2 43.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.606 179.227 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.953 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 58.2 mmm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.711 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.05 -88.38 0.62 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.77 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.901 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.8 OUTLIER -92.0 -23.27 19.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.436 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.734 HG23 HD11 ' B' ' 15' ' ' ILE . 1.4 p -39.16 -41.36 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 CA-C-N 113.075 -1.875 . . . . 0.0 112.877 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.461 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.31 -51.85 1.31 Allowed Glycine 0 CA--C 1.501 -0.819 0 C-N-CA 120.331 -0.937 . . . . 0.0 112.89 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.49 ' HD1' ' H ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -120.87 14.37 11.6 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.018 178.334 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.762 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 5.6 t80 -98.54 -32.71 11.31 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.729 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -71.47 -10.1 59.24 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.423 0.63 . . . . 0.0 112.133 -178.01 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.729 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.6 ptm180 -110.5 -1.99 16.72 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.762 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.5 t30 -110.48 -86.03 0.54 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 112.971 -1.922 . . . . 0.0 111.559 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.631 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.901 ' HE2' ' HE2' ' A' ' 3' ' ' LYS . 5.2 tttt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.423 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.5 OUTLIER -93.08 13.16 21.71 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 119.9 -0.72 . . . . 0.0 109.622 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -77.22 -12.5 59.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 177.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.734 HD11 HG23 ' A' ' 4' ' ' VAL . 41.9 mm -87.38 36.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.702 -1.136 . . . . 0.0 110.619 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.76 -36.01 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.419 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.95 -37.54 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.796 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.579 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -69.34 -20.39 63.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.147 0.499 . . . . 0.0 110.089 179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.54 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.0 t0 -71.27 -23.66 62.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.117 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -3.64 29.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.579 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.1 -36.17 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.56 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -61.48 -14.87 32.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.904 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -95.84 -46.04 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.798 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.728 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.37 41.99 0.86 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.28 0.562 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.505 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -71.84 -59.95 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.175 178.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.422 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 9.9 t80 -115.1 -13.05 11.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.172 -1.377 . . . . 0.0 107.765 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.728 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 1.6 mm-40 -61.44 -19.83 62.42 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.788 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -78.55 -2.66 39.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.247 0.546 . . . . 0.0 109.93 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -120.29 -23.94 6.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.188 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -54.89 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.843 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.53 ' HB2' ' OE2' ' B' ' 27' ' ' GLU . . . -76.82 1.28 17.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.83 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -106.64 -62.33 1.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.95 -21.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.583 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.643 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 4.1 ptpt -56.48 -57.53 11.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.355 0.598 . . . . 0.0 109.678 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.643 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -95.92 -2.37 47.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.794 179.193 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.63 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.066 -179.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 71.2 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.457 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.81 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.56 -90.41 0.58 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.568 -178.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.613 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -88.91 -21.44 23.61 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.298 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -44.54 -41.06 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.868 -178.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.461 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -41.72 -41.08 3.24 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.415 -0.898 . . . . 0.0 112.517 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.23 10.06 10.56 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.691 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -101.46 -47.21 4.75 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.772 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -58.64 -9.42 1.7 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.979 0.419 . . . . 0.0 111.833 -178.565 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.543 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.98 -23.23 11.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.109 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 7.3 t30 -88.18 -74.65 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.924 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.621 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 2.8 tpm_? . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.746 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.81 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.485 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.48 21.79 6.82 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 119.623 -0.831 . . . . 0.0 110.22 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.471 HD21 ' HZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -83.08 -7.96 59.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.152 178.346 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.685 HD11 HG23 ' A' ' 4' ' ' VAL . 34.9 mm -83.55 29.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -120.45 -30.68 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.505 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.01 -38.36 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.995 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.575 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -71.16 -27.8 63.81 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.976 0.417 . . . . 0.0 110.159 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.621 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -72.64 -13.88 61.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -18.34 37.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.237 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.575 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.52 -21.3 13.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.908 179.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.476 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.6 mm-40 -75.59 5.13 6.42 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.65 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.58 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 44.0 t80 -120.24 -12.93 8.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.345 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.79 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.37 51.86 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.481 0.658 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.522 ' HD2' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -70.67 -61.59 1.71 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.865 178.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.522 ' HB3' ' HD2' ' B' ' 25' ' ' LYS . 12.8 t80 -114.84 -15.25 11.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.484 178.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.79 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 17.7 mm-40 -63.26 -24.64 67.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.326 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.749 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 16.4 pt-20 -75.42 -8.64 57.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.749 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 1.2 mm-40 -120.2 -5.45 9.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.733 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.612 ' HB3' ' HA ' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -105.14 -27.67 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.471 -178.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.428 ' C ' ' HG2' ' B' ' 34' ' ' LYS . . . -118.8 18.49 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.225 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.618 ' HE ' ' HE1' ' B' ' 35' ' ' TRP . 0.0 OUTLIER -110.24 -64.98 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.685 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.6 -23.48 0.4 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.265 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.769 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.0 OUTLIER -53.38 -57.47 10.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.246 0.546 . . . . 0.0 109.82 178.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.769 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -97.03 -3.04 42.15 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.321 178.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.59 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.055 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.491 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 76.2 mmm . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.765 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.1 -90.02 0.59 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.499 -178.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.621 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -89.68 -23.96 21.72 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.235 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.842 HG23 HD11 ' B' ' 15' ' ' ILE . 0.9 OUTLIER -39.72 -44.84 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.461 -1.7 . . . . 0.0 112.276 -179.109 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.511 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.84 -44.72 1.96 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.879 -178.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -120.95 10.39 10.82 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.746 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.625 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -100.22 -43.45 6.29 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.79 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.98 -7.46 3.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -178.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.56 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -113.06 -17.39 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.625 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 12.3 t-20 -94.59 -77.74 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.316 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.517 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.4 tpm_? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.711 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.765 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 9.6 tttt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.402 ' O ' HG22 ' B' ' 16' ' ' THR . 2.5 mp -97.21 22.58 8.42 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.645 0.736 . . . . 0.0 109.736 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.3 pp -88.16 -12.68 43.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.852 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 4' ' ' VAL . 49.0 mm -80.4 8.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.014 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.402 HG22 ' O ' ' B' ' 13' ' ' LEU . 6.6 t -98.53 -30.71 12.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.312 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 0.4 OUTLIER -120.45 -38.8 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.582 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -68.45 -21.18 64.66 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.47 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 4.5 t0 -75.06 -17.81 60.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.222 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -73.33 -9.55 58.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.535 179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.7 -36.53 4.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.464 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.582 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 12.4 mm-40 -60.84 -15.3 28.84 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.24 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.561 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 62.9 t80 -101.75 -50.49 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.907 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -79.48 37.3 0.33 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.159 0.504 . . . . 0.0 111.363 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.423 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -72.77 -57.52 4.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.932 0.872 . . . . 0.0 108.691 178.598 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.414 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 30.4 t80 -117.22 -17.68 10.15 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 113.861 -1.518 . . . . 0.0 108.029 178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.622 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 7.2 mm-40 -53.71 -31.31 47.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.117 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 3.3 pt-20 -56.31 -37.94 70.6 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 121.116 0.484 . . . . 0.0 109.756 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.586 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 2.6 tt0 -85.05 -33.78 22.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.154 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.16 -14.21 61.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.481 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.654 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -115.86 0.88 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.405 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -93.0 -64.27 1.12 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.51 179.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.1 -16.51 0.48 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.761 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.654 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -67.66 -45.55 74.94 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 119.83 -0.748 . . . . 0.0 109.997 179.527 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.576 ' HE1' ' HD2' ' B' ' 32' ' ' ARG . 0.8 OUTLIER -103.36 -5.67 22.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.147 179.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.591 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.01 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 69.5 mmm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.849 0.357 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.77 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.22 -86.03 0.65 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.472 -178.73 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.655 ' HZ1' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -98.88 -20.65 16.71 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.501 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.797 HG23 HD11 ' B' ' 15' ' ' ILE . 2.2 p -39.6 -41.84 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 113.429 -1.714 . . . . 0.0 112.351 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -42.08 -43.45 4.46 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.316 -0.945 . . . . 0.0 112.411 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -120.73 10.37 10.97 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.486 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.623 ' CD2' HG21 ' B' ' 15' ' ' ILE . 1.3 t80 -97.68 -47.35 5.65 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.743 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.74 -7.24 1.49 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.11 0.481 . . . . 0.0 111.354 -178.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.575 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -110.95 -23.69 10.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 177.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 22.2 t-20 -90.88 -76.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.076 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.556 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.327 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.77 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.537 HD12 ' NZ ' ' B' ' 12' ' ' LYS . 4.5 mp -83.24 13.6 4.12 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.99 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.66 -18.84 61.53 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.757 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.797 HD11 HG23 ' A' ' 4' ' ' VAL . 26.1 mm -85.17 17.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.9 m -109.41 -32.91 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.719 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.1 -39.65 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.581 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -71.54 -23.5 61.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.889 0.376 . . . . 0.0 110.338 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.463 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 12.9 t0 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.894 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.499 ' HE ' ' HA ' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.22 -7.31 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.179 179.407 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.481 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.95 -29.97 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.722 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.581 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 1.5 mm-40 -67.73 -4.48 12.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.368 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -120.06 -15.1 8.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.782 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.84 47.06 1.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.471 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.517 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -71.95 -61.42 1.79 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.549 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.482 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 20.5 t80 -109.35 -18.12 13.64 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 177.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.782 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 5.4 mm-40 -59.72 -35.59 74.84 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.01 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 20.3 pt-20 -57.86 -27.53 63.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.011 0.434 . . . . 0.0 110.041 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.542 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -89.94 -38.64 13.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.901 179.244 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -14.0 62.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.31 0.576 . . . . 0.0 109.759 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.598 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.12 -0.33 16.6 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.525 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -92.73 -60.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.342 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.15 -18.48 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.347 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.598 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -66.81 -55.32 15.41 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.123 179.353 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.507 ' HE1' ' HE ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -92.53 -5.16 52.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.569 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.597 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.959 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 76.8 mmm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.896 0.379 . . . . 0.0 111.393 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.676 ' CH2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -117.52 -89.57 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 -178.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.646 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -88.48 -26.51 22.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.314 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.906 HG23 HD11 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -39.45 -44.65 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.334 -1.757 . . . . 0.0 112.44 -178.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.5 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.36 -46.45 1.99 Allowed Glycine 0 CA--C 1.505 -0.564 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.85 -178.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.66 10.48 11.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.452 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.587 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -99.48 -42.06 7.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.083 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.716 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.07 -9.62 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.816 -179.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.595 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -20.25 13.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.51 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.7 t30 -101.43 -95.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.392 -1.276 . . . . 0.0 111.245 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 2.6 tpp180 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.079 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.676 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 4.4 tttt . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.541 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -92.58 17.85 9.54 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.518 0.675 . . . . 0.0 109.809 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.7 OUTLIER -83.49 -26.64 30.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.704 -1.134 . . . . 0.0 108.773 178.273 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.906 HD11 HG23 ' A' ' 4' ' ' VAL . 16.6 mm -72.97 -5.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.706 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -76.1 -36.63 58.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.066 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.87 -40.29 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.587 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.74 -14.04 62.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 111.265 -179.139 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.635 ' OD2' HG23 ' B' ' 15' ' ' ILE . 4.9 t0 -79.89 -24.31 41.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.535 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -70.06 -7.74 43.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.572 179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.587 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -117.58 -29.3 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.468 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.541 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 1.4 mm-40 -64.83 -1.15 1.79 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.224 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -116.19 -44.38 2.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.769 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.86 48.21 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.341 0.591 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.484 ' CG ' ' H ' ' B' ' 26' ' ' PHE . 0.1 OUTLIER -72.51 -56.72 4.95 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.363 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.484 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -121.49 -12.7 8.52 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.497 -1.683 . . . . 0.0 107.917 178.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.769 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.3 mm-40 -62.32 -29.87 70.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 113.933 -1.485 . . . . 0.0 110.624 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.52 ' HB3' ' HB1' ' B' ' 24' ' ' ALA . 11.8 pt-20 -75.7 -3.83 36.91 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.372 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -120.32 -10.98 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.44 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.452 ' HB2' ' CE1' ' B' ' 26' ' ' PHE . 1.0 OUTLIER -101.83 -24.26 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.097 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.642 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.06 3.86 18.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.004 0.431 . . . . 0.0 110.611 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -99.16 -58.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.209 179.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.74 -17.08 0.8 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.175 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.642 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -66.73 -49.23 66.67 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 120.151 -0.62 . . . . 0.0 109.938 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.614 ' HE1' ' HE ' ' B' ' 32' ' ' ARG . 0.8 OUTLIER -101.17 -2.6 30.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.443 179.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.625 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.019 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 71.9 mmm . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.781 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.52 -88.01 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.495 -179.003 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.625 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -92.77 -24.07 18.67 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.876 HG23 HD11 ' B' ' 15' ' ' ILE . 0.8 OUTLIER -39.78 -44.58 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 CA-C-N 113.425 -1.716 . . . . 0.0 112.609 -179.144 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -37.33 -47.68 1.53 Allowed Glycine 0 CA--C 1.503 -0.694 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.81 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' HD1' ' H ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -120.86 11.09 11.03 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.485 178.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 1.1 t80 -97.53 -44.27 6.89 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.14 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.51 -7.55 1.47 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.537 -179.045 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.646 ' CB ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -111.95 -24.7 9.8 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.661 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 25.5 t30 -86.65 -76.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.249 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.59 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.0 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.813 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.781 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.489 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -93.27 14.12 19.23 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.211 179.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.457 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.5 OUTLIER -77.32 -12.06 59.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.321 177.496 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.876 HD11 HG23 ' A' ' 4' ' ' VAL . 40.5 mm -88.14 33.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.315 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.7 m -120.39 -39.27 2.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.532 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.56 -36.42 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.577 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.67 -21.83 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.098 0.475 . . . . 0.0 109.884 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.604 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -77.4 -17.34 58.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.316 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -14.69 61.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.281 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.18 -34.17 6.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.145 179.607 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.577 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.0 mm-40 -66.39 -3.81 6.83 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.984 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.492 ' HA ' ' NZ ' ' B' ' 25' ' ' LYS . 85.6 t80 -119.38 -30.93 4.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.989 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' B' ' 28' ' ' GLU . . . -79.82 51.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.455 0.645 . . . . 0.0 110.755 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.492 ' NZ ' ' HA ' ' B' ' 23' ' ' PHE . 0.0 OUTLIER -67.41 -58.12 5.34 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.302 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.489 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -122.08 -15.58 7.72 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 113.246 -1.797 . . . . 0.0 108.327 178.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.654 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 44.0 mm-40 -61.68 -25.35 67.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.511 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.698 ' HB3' ' HB1' ' B' ' 24' ' ' ALA . 8.6 pt-20 -74.14 -2.17 23.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.78 179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.551 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 4.8 mm-40 -119.86 -23.65 6.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 -21.09 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.882 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.569 ' O ' ' HD2' ' B' ' 34' ' ' LYS . . . -112.52 12.85 20.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.06 0.457 . . . . 0.0 110.719 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.671 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -111.37 -59.24 2.0 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.24 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' B' ' 36' ' ' ASP . . . -53.85 -17.55 2.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.589 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -63.94 -48.66 75.67 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.973 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.624 ' HE1' ' HE ' ' B' ' 32' ' ' ARG . 0.9 OUTLIER -101.38 -3.61 28.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.411 0.624 . . . . 0.0 109.771 178.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.671 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.966 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 82.0 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.814 0.34 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.825 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -112.3 -92.71 0.47 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.757 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.07 -15.96 32.71 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.696 0.76 . . . . 0.0 109.577 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.786 HG23 HD11 ' B' ' 15' ' ' ILE . 0.9 OUTLIER -45.7 -43.31 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.341 0 CA-C-N 114.062 -1.426 . . . . 0.0 112.126 -178.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.483 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -37.59 -43.53 1.15 Allowed Glycine 0 CA--C 1.504 -0.656 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.878 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -121.29 9.27 10.37 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.135 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.661 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -101.26 -40.68 7.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.567 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.755 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.82 -9.34 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.131 0.491 . . . . 0.0 111.078 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -112.92 -24.17 9.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.294 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 15.2 t-20 -94.7 -77.33 0.47 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.432 HH21 ' HE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.886 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.825 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.532 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -100.4 15.05 29.07 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.919 179.016 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.9 OUTLIER -79.45 -9.8 59.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.065 177.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.786 HD11 HG23 ' A' ' 4' ' ' VAL . 40.3 mm -84.12 22.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.257 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 56.8 m -110.09 -32.2 7.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.576 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.18 -37.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.264 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.532 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -69.27 -23.41 63.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.064 0.459 . . . . 0.0 110.115 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.761 ' OD2' HG23 ' B' ' 15' ' ' ILE . 0.2 OUTLIER -78.94 -15.67 57.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.327 179.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -7.61 57.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.083 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.83 -27.41 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.468 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.532 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.3 mm-40 -64.9 -16.09 62.81 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.021 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 72.2 t80 -97.87 -40.97 8.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.758 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -83.58 40.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.151 0.5 . . . . 0.0 110.936 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -71.25 -60.26 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.851 0.834 . . . . 0.0 108.838 178.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.439 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 10.1 t80 -111.88 -14.99 13.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.418 178.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.758 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.0 mm-40 -63.55 -29.38 70.65 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 113.791 -1.549 . . . . 0.0 110.296 179.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.576 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 17.2 pt-20 -75.1 -7.01 52.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.368 0.604 . . . . 0.0 109.938 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.73 -6.29 9.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.382 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.22 -50.37 3.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.82 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.408 ' HA ' ' CE ' ' B' ' 34' ' ' LYS . . . -115.23 12.12 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.631 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.599 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -108.24 -62.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.499 179.392 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.27 -23.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.485 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.634 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.5 OUTLIER -54.28 -56.36 19.18 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 109.743 179.037 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.634 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -97.8 -2.04 41.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.475 179.003 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.599 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.881 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.482 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 51.5 mmm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.829 0.347 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.35 -90.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.619 -178.65 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.713 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -90.31 -22.96 21.3 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 178.18 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.717 HG23 HD11 ' B' ' 15' ' ' ILE . 1.7 p -39.61 -41.49 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 CA-C-N 113.13 -1.85 . . . . 0.0 112.778 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.462 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.39 -50.81 0.96 Allowed Glycine 0 CA--C 1.501 -0.795 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.696 -178.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 12.3 p90 -120.84 11.37 11.1 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.069 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.828 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 2.6 t80 -96.67 -29.83 13.59 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.708 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.81 -6.85 47.59 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 121.634 0.73 . . . . 0.0 111.033 -178.794 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.708 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.3 ptm180 -119.82 11.83 11.96 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.828 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -120.82 -87.47 0.64 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.66 -178.046 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.622 HH21 ' HE2' ' A' ' 7' ' ' PHE . 1.1 tpm_? . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.774 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.795 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.487 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -99.73 11.0 40.36 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.966 179.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -14.2 60.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.735 177.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.717 HD11 HG23 ' A' ' 4' ' ' VAL . 36.1 mm -80.79 1.13 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.387 -1.279 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 m -81.86 -37.97 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.974 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.39 -38.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.478 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.35 -16.12 63.26 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.905 0.383 . . . . 0.0 110.934 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.478 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 8.1 t0 -78.74 -23.3 45.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.47 -7.95 52.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.478 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.66 -26.85 5.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.507 -179.059 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.443 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 2.1 mm-40 -64.47 -0.49 1.35 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.621 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -113.97 -48.0 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.013 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.32 48.83 1.55 Allowed 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.543 0.687 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.507 ' CG ' ' H ' ' B' ' 26' ' ' PHE . 4.9 ptmt -79.08 -60.03 2.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.679 178.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.636 ' CZ ' ' HB2' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -123.51 -8.07 8.03 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 113.709 -1.587 . . . . 0.0 108.898 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.553 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.0 mm-40 -56.43 -36.74 69.32 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.795 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.76 -13.62 61.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -110.8 -12.38 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.426 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.636 ' HB2' ' CZ ' ' B' ' 26' ' ' PHE . 1.5 tpt180 -90.08 -53.47 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.559 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.453 ' C ' ' HG2' ' B' ' 34' ' ' LYS . . . -77.85 7.43 5.91 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.677 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -103.32 -63.58 1.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.313 179.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.29 -23.35 0.87 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.765 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.696 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.2 OUTLIER -55.66 -57.27 12.68 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.307 0.575 . . . . 0.0 109.783 179.086 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.696 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -95.02 -2.99 49.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.697 179.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.628 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.916 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.795 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.38 -91.68 0.5 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.025 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.76 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.38 -16.09 31.8 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.795 0.807 . . . . 0.0 109.316 178.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.814 HG22 ' HG3' ' A' ' 8' ' ' LYS . 1.4 p -45.93 -42.99 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 113.846 -1.525 . . . . 0.0 112.226 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -41.06 -40.73 2.48 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.689 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -121.21 9.25 10.41 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.135 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.669 ' HB3' ' NZ ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -103.29 -41.44 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.004 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.814 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -60.69 -9.31 3.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.159 0.504 . . . . 0.0 110.845 -179.296 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -110.89 -20.43 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 178.282 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.603 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 5.3 t-20 -97.02 -78.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.729 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.795 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.28 18.01 17.36 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.314 -0.955 . . . . 0.0 109.8 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -83.8 -11.59 56.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 114.495 -1.23 . . . . 0.0 108.509 177.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.772 HD11 HG23 ' A' ' 4' ' ' VAL . 32.5 mm -84.63 8.31 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.618 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -91.05 -30.43 16.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.983 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.458 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -120.1 -40.96 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.577 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.58 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -64.16 -31.43 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.861 0.362 . . . . 0.0 110.291 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.682 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 9.8 t0 -72.43 -22.77 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.937 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -67.52 -12.42 60.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.96 179.331 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.508 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -113.26 -35.43 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.254 179.65 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.58 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 21.4 mm-40 -66.74 -12.96 60.72 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.277 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.48 ' CZ ' ' HG3' ' B' ' 27' ' ' GLU . 84.4 t80 -93.06 -37.49 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.771 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -84.58 48.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.267 0.556 . . . . 0.0 110.903 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.487 ' HD2' ' O ' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -75.1 -55.38 5.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.393 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -121.09 -13.29 8.58 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 113.357 -1.747 . . . . 0.0 107.83 178.541 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.771 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 13.9 mm-40 -63.17 -29.43 70.79 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 113.901 -1.499 . . . . 0.0 110.387 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.508 ' HB3' ' HB1' ' B' ' 24' ' ' ALA . 11.2 pt-20 -73.95 -5.89 44.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.13 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.409 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 49.1 mm-40 -120.38 -13.06 8.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.449 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.473 ' HB2' ' CE2' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -95.93 -30.89 13.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.91 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.671 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -101.73 -3.81 27.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.756 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.617 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -93.56 -61.63 1.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.527 179.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -50.67 -18.95 0.79 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.604 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.671 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -65.29 -45.58 83.87 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.026 179.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.521 ' HE1' ' NE ' ' B' ' 32' ' ' ARG . 0.9 OUTLIER -104.6 -3.93 23.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.233 179.512 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.027 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 81.8 mmm . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.834 0.349 . . . . 0.0 111.377 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.841 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -113.61 -89.49 0.53 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.981 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.783 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -90.48 -22.21 21.48 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 121.87 0.843 . . . . 0.0 109.244 179.042 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.706 HG22 ' HG3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -39.73 -42.67 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.28 0 CA-C-N 113.582 -1.645 . . . . 0.0 112.69 -177.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.457 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.55 -40.72 0.48 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.48 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -121.95 4.64 9.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.538 178.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.716 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -97.4 -40.06 8.89 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.518 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -56.95 -11.44 1.48 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.144 -0.623 . . . . 0.0 110.176 -179.405 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -109.29 -20.28 13.0 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.716 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -96.7 -84.81 0.36 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.57 -1.65 . . . . 0.0 110.38 178.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HE ' ' HB3' ' A' ' 10' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.651 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.841 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.642 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -114.38 19.7 16.03 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 119.864 -0.734 . . . . 0.0 110.476 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.566 HD21 ' HZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -83.64 -2.06 55.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.874 178.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.659 ' CD1' HG23 ' A' ' 4' ' ' VAL . 27.6 mm -79.79 10.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 12.6 t -93.14 -30.03 15.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.437 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -120.16 -38.67 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.618 -179.699 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.576 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.58 -19.87 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.936 0.398 . . . . 0.0 110.794 -179.563 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -75.28 -15.84 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.159 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -82.14 -16.67 49.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.644 179.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.91 -26.63 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.042 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.541 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 5.5 mm-40 -65.58 -12.34 52.19 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.498 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.479 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -77.34 -31.9 54.82 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.145 178.645 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.774 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -85.15 45.03 1.13 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.414 178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.503 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -72.63 -61.97 1.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.774 0.797 . . . . 0.0 109.084 179.339 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.405 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 37.5 t80 -107.7 -17.98 13.95 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.13 -1.396 . . . . 0.0 107.575 178.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.774 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 12.2 mm-40 -57.19 -30.81 64.84 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.811 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 10.9 pt-20 -65.23 -30.1 70.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.341 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -90.24 -36.3 14.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.305 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -19.66 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.207 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.4 ' C ' ' HG2' ' B' ' 34' ' ' LYS . . . -111.75 12.14 21.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.476 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.714 ' HE ' ' HE1' ' B' ' 35' ' ' TRP . 0.0 OUTLIER -104.3 -66.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.694 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.48 -25.96 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.744 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.665 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 8.5 ptpt -52.39 -56.8 12.54 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.409 0.623 . . . . 0.0 109.741 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.714 ' HE1' ' HE ' ' B' ' 32' ' ' ARG . 1.0 OUTLIER -97.47 -3.22 40.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.559 179.128 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.006 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 77.6 mmm . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.773 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -114.27 -97.43 0.44 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -178.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.707 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.54 -17.99 49.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 121.85 0.833 . . . . 0.0 109.239 178.608 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.811 HG22 ' HG3' ' A' ' 8' ' ' LYS . 2.0 p -45.26 -42.91 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.074 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.487 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.71 -45.03 0.99 Allowed Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.077 -178.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -121.18 7.43 10.25 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.925 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.694 ' HB3' ' HZ3' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -96.23 -41.21 8.79 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.576 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.811 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.05 -11.14 7.4 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.064 0.459 . . . . 0.0 111.259 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.561 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.42 -22.12 12.45 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.1 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.604 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 5.2 t-20 -89.22 -76.1 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.8 tpm_? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.831 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.773 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 1.4 tttt . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.639 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -113.52 8.78 17.86 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.106 -0.637 . . . . 0.0 109.731 178.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -76.26 -10.61 59.54 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.357 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.79 HD11 HG23 ' A' ' 4' ' ' VAL . 45.8 mm -83.61 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.27 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -117.94 -35.52 3.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.353 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -114.45 -39.26 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.588 ' NE2' ' HG3' ' B' ' 22' ' ' GLU . 0.0 OUTLIER -70.75 -22.99 62.34 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.545 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.617 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -77.39 -14.68 59.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.789 179.082 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -7.77 54.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.887 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -119.93 -30.65 4.67 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.021 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.588 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.4 mm-40 -68.85 -7.48 34.9 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 0.0 OUTLIER -89.67 -15.99 31.41 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.044 179.326 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.816 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -78.35 50.82 0.96 Allowed 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.918 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.49 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -68.27 -64.39 0.87 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.833 0.825 . . . . 0.0 108.892 179.095 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.446 ' H ' ' HD3' ' B' ' 25' ' ' LYS . 9.6 t80 -106.45 -17.36 14.29 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.358 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.816 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 3.8 mm-40 -62.41 -28.6 69.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 113.64 -1.618 . . . . 0.0 110.225 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.52 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 16.8 pt-20 -71.58 -2.73 18.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.843 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.52 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 3.0 mm-40 -120.96 3.64 10.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -21.56 8.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.045 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -120.66 2.41 10.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.24 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.676 ' HD2' ' HE1' ' B' ' 35' ' ' TRP . 0.2 OUTLIER -97.6 -58.22 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.206 179.179 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.71 -16.35 0.95 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -67.38 -51.71 48.81 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.439 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.676 ' HE1' ' HD2' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -96.52 -8.38 32.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.247 0.546 . . . . 0.0 110.295 179.469 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.137 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 80.7 mmm . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.78 0.324 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.79 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.17 -88.28 0.61 Allowed 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.772 -178.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HZ3' ' HG2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -92.26 -22.58 19.69 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.904 0.859 . . . . 0.0 108.74 178.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.888 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -40.57 -49.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.218 0 CA-C-N 113.388 -1.733 . . . . 0.0 112.707 -178.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.535 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.31 -39.55 0.22 Allowed Glycine 0 CA--C 1.504 -0.609 0 C-N-CA 120.285 -0.959 . . . . 0.0 113.276 -178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 7.3 p90 -121.4 6.78 10.12 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.92 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.8 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 1.0 OUTLIER -97.65 -38.67 9.43 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.888 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -63.14 -27.97 69.74 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.006 -179.12 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.737 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -96.3 8.31 44.26 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.8 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 2.2 m-20 -116.17 -89.45 0.57 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 113.167 -1.833 . . . . 0.0 111.423 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.629 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.7 tpm_? . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.848 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.79 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 10.9 tttt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 113.105 0.779 . . . . 0.0 113.105 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.625 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -115.45 8.1 15.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.402 0.62 . . . . 0.0 109.669 178.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.483 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -71.03 -15.48 62.56 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.196 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.689 ' CD1' HG23 ' A' ' 4' ' ' VAL . 29.0 mm -77.61 10.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.699 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m -96.34 -41.04 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.063 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.24 -37.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.715 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.717 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -65.46 -25.97 67.74 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.96 0.409 . . . . 0.0 110.376 -179.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.554 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.3 t0 -70.34 -21.14 62.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.236 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -7.0 58.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.775 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.717 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -115.6 -31.43 5.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.622 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.521 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 1.4 mm-40 -59.04 -13.66 7.37 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.289 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.574 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 34.6 t80 -120.71 -49.87 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.435 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.641 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -78.75 40.48 0.39 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.554 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -74.9 -57.45 3.9 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.554 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 31.2 t80 -116.08 -15.24 11.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.745 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.641 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 9.8 mm-40 -60.21 -29.31 68.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.93 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.754 ' HA ' ' HB2' ' B' ' 32' ' ' ARG . 12.7 pt-20 -71.35 -3.35 20.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.044 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.557 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 0.4 OUTLIER -120.84 -0.73 10.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.12 -179.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.507 HH12 ' HB2' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -113.94 -49.29 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.798 -179.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.507 ' HB2' HH12 ' B' ' 30' ' ' ARG . . . -111.86 -5.86 14.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.746 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.754 ' HB2' ' HA ' ' B' ' 28' ' ' GLU . 0.0 OUTLIER -93.02 -58.78 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.694 0.283 . . . . 0.0 110.864 179.387 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.64 -16.01 0.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -68.44 -55.0 13.37 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.089 179.271 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.43 ' NE1' ' HA ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -92.33 -6.0 51.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.469 179.533 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.625 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.957 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.433 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 89.1 mmm . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.914 0.388 . . . . 0.0 111.344 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.785 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.43 -86.85 0.65 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.083 -178.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.636 ' HE2' ' HG2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -94.06 -22.14 18.7 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.838 0.828 . . . . 0.0 108.879 178.122 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.823 HG22 ' CG ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -39.99 -49.19 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.611 -178.627 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.539 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -43.81 -36.47 3.63 Favored Glycine 0 CA--C 1.501 -0.828 0 C-N-CA 120.127 -1.035 . . . . 0.0 112.852 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -118.68 10.8 12.58 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.18 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.581 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -113.04 -47.2 3.05 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.823 ' CG ' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.33 -13.09 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.639 -179.412 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.606 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.58 -18.32 13.75 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.555 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.514 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 9.5 t30 -97.76 -85.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.145 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' NE ' HG22 ' B' ' 15' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.383 -0.818 . . . . 0.0 110.794 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.785 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.47 9.06 43.11 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.548 HD23 ' H ' ' B' ' 14' ' ' LEU . 0.2 OUTLIER -70.85 -12.56 61.61 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.239 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.787 HD11 HG23 ' A' ' 4' ' ' VAL . 17.7 mm -70.84 -1.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.523 179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.438 ' O ' HD12 ' B' ' 17' ' ' ILE . 4.9 m -95.73 -29.1 14.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.865 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.577 HG22 ' N ' ' B' ' 18' ' ' HIS . 1.2 mp -120.17 -58.04 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.899 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -52.47 -19.31 2.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.225 0.536 . . . . 0.0 110.391 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.489 ' OD2' ' HB2' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -74.93 -38.2 61.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.314 179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.482 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -62.98 -15.61 56.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.699 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.899 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -105.99 -28.54 10.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.554 ' HG3' ' NE2' ' B' ' 18' ' ' HIS . 4.9 mm-40 -68.14 -4.97 15.53 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.63 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 46.5 t80 -120.32 -43.84 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.321 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.701 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -78.79 37.76 0.3 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.227 0.537 . . . . 0.0 111.754 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.431 ' HG3' ' H ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -70.45 -59.66 2.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.985 0.898 . . . . 0.0 108.72 178.271 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -114.24 -15.63 12.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.847 -1.524 . . . . 0.0 107.54 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.701 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 4.8 mm-40 -61.49 -23.8 66.15 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.887 -1.506 . . . . 0.0 110.616 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.442 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 25.9 pt-20 -74.0 -1.87 21.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.321 0.581 . . . . 0.0 109.844 179.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.442 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 3.0 mm-40 -120.02 -18.9 8.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 30' ' ' ARG . 0.2 OUTLIER -101.55 -54.54 2.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.075 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.663 ' HA ' ' NZ ' ' B' ' 34' ' ' LYS . . . -79.69 6.07 11.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.134 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.6 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -107.96 -62.44 1.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.687 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.67 -22.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.46 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.696 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.1 OUTLIER -55.62 -58.42 7.89 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.355 0.598 . . . . 0.0 109.989 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.696 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -95.46 -2.86 47.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.954 179.554 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.6 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.067 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 53.6 mmm . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.315 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.801 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -119.99 -88.95 0.61 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.528 -178.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.737 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.9 OUTLIER -91.96 -22.75 19.84 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.103 HG23 HD11 ' B' ' 15' ' ' ILE . 2.2 p -39.59 -45.36 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 113.433 -1.712 . . . . 0.0 112.528 -178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.531 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -44.09 -41.94 6.44 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.604 -178.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -121.02 13.93 11.4 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.763 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.591 ' CD2' ' HG3' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -106.77 -45.28 4.24 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -179.268 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.777 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -59.74 -5.0 0.78 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.133 0.492 . . . . 0.0 111.258 -178.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.576 ' CB ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -116.24 -22.72 8.73 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.264 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 13.9 t30 -89.73 -75.51 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.532 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' HB2' ' OD2' ' B' ' 19' ' ' ASP . 2.7 tpm_? . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.713 -179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.801 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.3 tttt . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.537 HD13 ' C ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -102.24 28.02 6.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.684 0.754 . . . . 0.0 109.614 178.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.834 ' HB2' ' HE1' ' B' ' 18' ' ' HIS . 3.8 pp -92.55 -17.67 24.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.101 178.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 1.103 HD11 HG23 ' A' ' 4' ' ' VAL . 16.7 mm -66.54 7.13 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.101 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.453 ' H ' ' C ' ' B' ' 14' ' ' LEU . 0.3 OUTLIER -102.33 -2.86 28.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.541 HG22 ' N ' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -120.45 -57.77 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.834 ' HE1' ' HB2' ' B' ' 14' ' ' LEU . 19.9 m80 -58.36 -37.14 74.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 122.027 0.918 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.526 ' HA ' ' O ' ' A' ' 8' ' ' LYS . 2.3 t0 -65.0 4.58 0.43 Allowed 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.848 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -120.32 -14.62 8.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.066 178.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.514 ' HD2' HG23 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -117.39 -52.65 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.923 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.619 ' HB2' ' O ' ' B' ' 18' ' ' HIS . 0.8 OUTLIER -46.06 -22.57 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.392 179.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.514 ' O ' ' HB2' ' B' ' 27' ' ' GLU . 46.3 t80 -87.94 -38.64 15.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.691 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -79.79 37.13 0.35 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.501 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.516 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -67.56 -59.95 2.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.368 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.516 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 6.5 t80 -112.75 -17.35 12.57 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.075 -1.421 . . . . 0.0 107.523 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.691 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 10.6 mm-40 -59.98 -27.52 66.91 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.806 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 10.3 pt-20 -66.7 -11.42 54.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.218 0.532 . . . . 0.0 109.722 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.486 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 4.7 mm-40 -109.62 -26.57 9.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.079 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -82.87 -15.24 52.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.637 179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -111.0 -3.82 15.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.386 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.677 ' HD2' ' HE1' ' B' ' 35' ' ' TRP . 0.2 OUTLIER -95.14 -56.77 2.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.15 179.216 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.29 -17.35 1.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.077 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -66.91 -66.34 0.57 Allowed 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.047 179.416 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.677 ' HE1' ' HD2' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -79.03 -11.11 59.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.409 179.526 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.873 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG2' ' H1 ' ' A' ' 1' ' ' MET . 61.5 mmm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.75 ' HE3' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -114.11 -92.04 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.766 -179.103 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.75 ' HD3' ' HE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.65 -18.63 29.14 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 109.065 178.559 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.05 HG23 HD11 ' B' ' 15' ' ' ILE . 1.6 p -44.75 -43.73 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.653 -1.612 . . . . 0.0 112.74 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.493 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -38.43 -44.75 1.76 Allowed Glycine 0 CA--C 1.503 -0.704 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.914 -177.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.92 9.38 10.62 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.628 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.844 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 0.6 OUTLIER -99.48 -33.36 10.7 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.246 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.78 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -69.7 -11.07 60.56 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.251 0.548 . . . . 0.0 111.12 -178.703 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -108.68 -1.01 19.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 176.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.844 ' HB2' ' HA ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -106.22 -88.9 0.44 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 112.604 -2.089 . . . . 0.0 111.567 -178.601 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.9 tpm_? . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.746 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.696 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 5.4 tttm . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.521 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -96.15 14.2 24.77 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.445 178.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 1.7 pp -81.62 -16.04 52.76 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.383 -1.28 . . . . 0.0 108.589 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 1.05 HD11 HG23 ' A' ' 4' ' ' VAL . 21.1 mm -80.1 -4.09 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.691 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -31.47 35.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.242 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.66 -41.17 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.772 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.85 -16.74 64.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.797 0.332 . . . . 0.0 111.108 -179.185 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.511 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.7 t0 -76.7 -23.89 53.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.155 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -10.88 60.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.772 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.16 -26.35 8.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.517 ' HG3' ' CE1' ' B' ' 18' ' ' HIS . 3.1 mm-40 -66.06 -9.18 28.4 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -97.29 -44.09 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.74 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -85.34 48.6 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.398 0.618 . . . . 0.0 110.632 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.485 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 6.4 ptmt -75.49 -56.95 4.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.99 -1.004 . . . . 0.0 108.559 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.48 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -121.56 -11.84 8.62 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 113.533 -1.667 . . . . 0.0 107.971 179.115 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.74 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.0 mm-40 -61.98 -25.42 67.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 113.922 -1.49 . . . . 0.0 110.641 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -81.15 1.68 30.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.262 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.19 -24.72 5.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.58 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -54.76 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.707 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.745 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -77.94 8.21 4.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.655 ' HE ' ' HE1' ' B' ' 35' ' ' TRP . 0.0 OUTLIER -110.5 -63.23 1.41 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.116 179.361 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.82 -23.85 0.84 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.237 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.745 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 4.3 ptpt -53.22 -57.63 9.85 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.39 0.614 . . . . 0.0 109.573 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.741 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -97.27 -1.23 45.18 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.591 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.637 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.859 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 70.7 mmm . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.915 0.388 . . . . 0.0 111.404 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.82 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -118.5 -90.65 0.57 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.586 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 0.8 OUTLIER -88.4 -22.85 23.53 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.498 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.855 ' O ' ' HG3' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -41.36 -51.02 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.168 0 CA-C-N 113.625 -1.625 . . . . 0.0 112.543 -178.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.556 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -34.08 -41.37 0.2 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.052 -1.07 . . . . 0.0 113.29 -177.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -121.32 7.03 10.15 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.658 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -95.18 -55.72 2.97 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -46.95 -20.84 0.16 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.226 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.72 ' HG3' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -90.26 -49.68 6.41 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.429 177.215 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 9.2 t30 -68.7 -81.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.771 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HD2' ' HB3' ' B' ' 19' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.628 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.82 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.604 HD13 ' O ' ' B' ' 12' ' ' LYS . 0.6 OUTLIER -113.85 26.07 10.66 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 119.758 -0.777 . . . . 0.0 110.708 178.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.6 OUTLIER -89.22 -8.0 54.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.74 177.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.758 HD11 HG23 ' A' ' 4' ' ' VAL . 33.5 mm -84.5 39.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.657 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.446 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 0.0 OUTLIER -114.65 -59.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.271 179.501 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 8.8 tp -98.02 -34.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.563 ' HB3' ' O ' ' B' ' 14' ' ' LEU . 0.0 OUTLIER -63.37 -33.57 75.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.611 ' OD1' HG23 ' B' ' 15' ' ' ILE . 0.1 OUTLIER -75.56 -18.65 59.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.673 178.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' B' ' 16' ' ' THR . 0.0 OUTLIER -70.42 -11.18 60.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.019 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.531 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -116.85 -33.73 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.403 179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.4 mm-40 -63.65 -10.49 19.19 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.068 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.457 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 57.0 t80 -112.92 -48.98 2.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.75 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -80.66 41.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.131 0.491 . . . . 0.0 111.69 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.537 ' H ' ' HG3' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -70.05 -59.06 3.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 178.203 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -117.81 -13.93 10.12 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.774 -1.557 . . . . 0.0 107.721 178.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.75 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 6.5 mm-40 -59.67 -33.65 71.84 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.851 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.607 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 10.3 pt-20 -61.72 -13.27 21.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.087 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.607 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 3.1 mm-40 -107.23 -23.21 12.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.294 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -89.88 -9.19 49.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.697 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -117.37 -3.39 11.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.654 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -97.5 -53.26 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.395 179.086 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.15 -10.59 0.88 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.082 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.697 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -74.24 -53.61 9.43 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 120.286 -0.565 . . . . 0.0 110.15 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.532 ' NE1' ' HA ' ' B' ' 32' ' ' ARG . 0.6 OUTLIER -93.38 -6.24 47.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.344 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.654 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.826 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.467 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 43.1 mmm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.791 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.32 -93.14 0.52 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -178.63 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HE2' ' HE2' ' B' ' 12' ' ' LYS . 0.7 OUTLIER -83.97 -24.57 30.57 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.337 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.714 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 1.6 p -40.73 -40.43 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.183 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.236 -179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.433 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -35.23 -50.78 0.91 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.785 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -120.77 9.66 10.78 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.241 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.741 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.6 t80 -92.52 -34.75 13.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.719 ' HD3' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -70.23 -7.86 45.49 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.194 -178.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.719 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 2.9 ptm180 -115.75 -2.37 12.43 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.741 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 14.9 t30 -106.72 -81.45 0.55 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.255 -1.793 . . . . 0.0 111.288 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.547 ' NE ' HG22 ' B' ' 15' ' ' ILE . 1.4 tpm_? . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.83 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.791 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 6.0 tttm . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.473 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.4 OUTLIER -92.82 13.45 20.32 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 119.74 -0.784 . . . . 0.0 109.754 179.084 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.42 -11.76 59.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.679 ' CD1' HG23 ' A' ' 4' ' ' VAL . 22.7 mm -80.57 9.4 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -88.49 -41.0 13.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.544 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.3 OUTLIER -119.42 -40.42 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.749 -179.772 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.697 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -60.35 -28.65 68.35 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 120.964 0.412 . . . . 0.0 110.153 -179.681 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.52 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.4 t0 -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -19.69 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.236 178.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 1.0 OUTLIER -88.88 -36.3 16.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.492 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -79.38 5.21 13.17 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.603 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.579 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 27.1 t80 -112.15 -14.33 13.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.86 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.813 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -82.94 53.63 2.48 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.658 0.742 . . . . 0.0 110.514 179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.441 ' CG ' ' H ' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -72.34 -55.51 6.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.603 -1.181 . . . . 0.0 108.644 178.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.441 ' H ' ' CG ' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -121.04 -15.2 8.29 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 113.482 -1.69 . . . . 0.0 107.865 179.003 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.813 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 27.9 mm-40 -63.74 -28.53 69.95 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.04 -1.437 . . . . 0.0 110.037 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.625 ' HB3' ' HB1' ' B' ' 24' ' ' ALA . 17.0 pt-20 -73.82 -0.17 15.05 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-O 121.529 0.68 . . . . 0.0 109.635 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 1.9 mm-40 -121.28 0.39 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.652 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.11 -59.71 1.98 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.256 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.503 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -100.16 6.38 44.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.342 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.596 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -107.11 -63.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.226 179.214 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.09 -26.73 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.526 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.636 ' HG3' ' H ' ' B' ' 35' ' ' TRP . 0.1 OUTLIER -51.02 -57.43 8.65 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.348 0.594 . . . . 0.0 109.606 179.074 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.636 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 1.0 OUTLIER -96.69 -2.47 44.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.727 179.184 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.596 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.1 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 79.2 mmm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.954 0.407 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.8 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.39 -84.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.594 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.688 ' NZ ' ' HE2' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -101.84 -15.39 16.92 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.569 178.668 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.799 HG22 ' HG3' ' A' ' 8' ' ' LYS . 2.2 p -43.16 -46.47 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.948 0 CA-C-N 113.862 -1.517 . . . . 0.0 112.265 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.515 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -45.7 -33.35 4.73 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.188 -1.006 . . . . 0.0 112.184 -178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -120.66 10.08 10.94 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.398 178.38 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.525 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -105.97 -43.07 4.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.986 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.799 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -64.88 -11.23 35.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.24 0.543 . . . . 0.0 110.854 -179.147 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.592 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -112.1 -6.56 14.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.472 -0.786 . . . . 0.0 108.899 178.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.525 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 59.3 t-20 -107.28 -78.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.021 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' NE ' HG22 ' B' ' 15' ' ' ILE . 2.4 tpm_? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.937 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.8 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.489 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -85.26 19.4 2.27 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.781 -0.767 . . . . 0.0 110.323 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.412 HD12 ' CE1' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -79.69 -15.34 57.73 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.739 177.809 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.727 ' CD1' HG23 ' A' ' 4' ' ' VAL . 22.3 mm -75.64 2.46 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.625 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.82 -24.62 13.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.586 178.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.581 ' O ' ' HD2' ' B' ' 20' ' ' ARG . 1.2 mm -120.39 -63.46 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.227 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.577 ' HA ' ' HD2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -51.9 -19.26 1.66 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.108 0.48 . . . . 0.0 110.61 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.517 ' OD1' ' HA ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER -72.23 -42.12 66.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.214 179.548 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.581 ' HD2' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -56.66 -21.78 29.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.615 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.577 ' HD2' ' HA ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.14 -27.64 14.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.822 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.474 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 3.6 mm-40 -78.08 0.69 23.71 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.888 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' B' ' 27' ' ' GLU . 56.1 t80 -110.09 -18.48 13.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.959 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.782 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -81.84 48.44 1.22 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.399 0.619 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.537 ' HD3' ' HB3' ' B' ' 26' ' ' PHE . 0.0 OUTLIER -74.82 -61.34 1.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.107 -0.952 . . . . 0.0 109.273 178.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.537 ' HB3' ' HD3' ' B' ' 25' ' ' LYS . 17.8 t80 -110.73 -13.16 14.22 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.292 -1.322 . . . . 0.0 107.624 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.782 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 5.7 mm-40 -60.99 -27.71 68.5 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 113.679 -1.6 . . . . 0.0 110.638 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.591 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 8.5 pt-20 -71.02 -8.16 51.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.955 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.591 ' HG2' ' HG3' ' B' ' 28' ' ' GLU . 0.9 OUTLIER -109.76 -36.16 5.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.272 179.672 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.443 ' HE ' ' HB3' ' B' ' 30' ' ' ARG . 0.1 OUTLIER -71.26 -11.82 61.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.693 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.592 ' HA ' ' HD2' ' B' ' 34' ' ' LYS . . . -120.33 5.69 10.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.577 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.618 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -96.02 -57.76 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.902 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.93 -16.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.592 ' HD2' ' HA ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -67.56 -57.72 5.98 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.234 179.405 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.46 ' NE1' ' HA ' ' B' ' 32' ' ' ARG . 0.7 OUTLIER -90.41 -6.06 55.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.619 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.618 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.011 -179.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 74.8 mmm . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.804 ' CZ2' ' HA ' ' B' ' 12' ' ' LYS . 0.0 OUTLIER -120.57 -88.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.352 -178.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.59 ' HE3' ' CZ3' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -93.01 -21.4 19.77 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.058 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.708 HG23 ' CD1' ' B' ' 15' ' ' ILE . 0.5 OUTLIER -40.13 -41.19 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 CA-C-N 113.386 -1.734 . . . . 0.0 112.362 -179.049 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.441 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -36.38 -48.22 1.18 Allowed Glycine 0 CA--C 1.504 -0.631 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.927 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -120.95 9.66 10.66 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.253 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.583 ' HA ' ' HB3' ' A' ' 10' ' ' ASN . 1.9 t80 -95.91 -42.08 8.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.358 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.67 ' HG3' HG22 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -61.98 -8.84 5.74 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.148 0.499 . . . . 0.0 111.521 -178.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.632 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -109.81 -19.69 13.05 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.539 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.583 ' HB3' ' HA ' ' A' ' 7' ' ' PHE . 19.6 t30 -96.73 -88.57 0.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.387 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' NH2' ' HB ' ' B' ' 15' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.701 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.804 ' HA ' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.53 ' N ' HD13 ' B' ' 13' ' ' LEU . 0.3 OUTLIER -94.23 14.12 21.23 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 119.548 -0.861 . . . . 0.0 109.471 178.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' B' ' 18' ' ' HIS . 0.4 OUTLIER -75.28 -15.43 60.51 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.71 177.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.708 ' CD1' HG23 ' A' ' 4' ' ' VAL . 11.1 mm -78.79 16.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 51.5 m -94.36 -47.18 6.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.561 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.546 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -117.09 -38.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.232 179.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.723 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -58.35 -23.25 56.28 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 109.796 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.539 ' OD2' ' HA ' ' A' ' 8' ' ' LYS . 6.8 t0 -76.54 -34.13 58.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.554 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -23.75 66.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.531 0.681 . . . . 0.0 109.328 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.723 ' HG2' ' O ' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -90.42 -37.57 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.416 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.403 ' HB2' ' HA ' ' B' ' 19' ' ' ASP . 6.0 mm-40 -79.04 6.84 8.46 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.514 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -120.47 -13.71 8.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.508 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.799 ' HA ' ' HB2' ' B' ' 27' ' ' GLU . . . -82.25 54.88 2.68 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.9 0.857 . . . . 0.0 110.586 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.521 ' H ' ' HG2' ' B' ' 25' ' ' LYS . 0.0 OUTLIER -81.89 -51.46 8.07 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.061 -1.427 . . . . 0.0 108.093 178.633 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.73 -19.11 7.49 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 113.32 -1.764 . . . . 0.0 108.422 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.799 ' HB2' ' HA ' ' B' ' 24' ' ' ALA . 10.1 mm-40 -54.17 -24.71 19.13 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.912 -1.495 . . . . 0.0 110.554 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' B' ' 32' ' ' ARG . 0.3 OUTLIER -65.88 -39.36 90.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.491 178.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' B' ' 30' ' ' ARG . 0.0 OUTLIER -76.98 -37.84 54.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.022 178.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.449 ' N ' ' HG2' ' B' ' 29' ' ' GLU . 0.1 OUTLIER -67.05 -20.84 65.9 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 179.449 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.712 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . . . -108.48 11.47 26.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.075 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.619 ' O ' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER -106.67 -62.96 1.33 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.437 179.661 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.443 ' HA ' ' OXT' ' B' ' 36' ' ' ASP . . . -47.19 -23.58 0.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.727 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.712 ' HE3' ' HA ' ' B' ' 31' ' ' ALA . 14.1 ptpt -55.37 -56.53 19.05 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.329 0.585 . . . . 0.0 109.852 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.591 ' H ' ' HG3' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -97.53 -2.4 41.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.032 179.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.619 ' HB2' ' O ' ' B' ' 32' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.086 -179.112 . . . . . . . . 2 2 . 1 stop_ save_