data_2juq_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 2juq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.438 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.258 0.552 . . . . 0.0 110.458 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -11.99 48.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.26 -0.9 . . . . 0.0 110.658 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -11.78 60.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.856 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -109.32 8.48 25.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.061 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 t 52.35 16.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 111.003 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -123.58 -20.86 5.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.994 -1.066 . . . . 0.0 109.954 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 1.9 t -100.64 78.7 2.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.493 -0.754 . . . . 0.0 109.322 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -38.37 11.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.392 -0.817 . . . . 0.0 110.161 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.9 m-30 -53.67 -70.77 0.09 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.683 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 0.0 110.695 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.345 0.593 . . . . 0.0 110.129 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -84.47 -47.52 10.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.902 . . . . 0.0 110.032 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -42.77 -28.25 0.23 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 0.0 110.362 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.96 -154.66 0.44 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.256 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -135.64 1.44 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 110.504 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -96.17 -23.38 16.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.184 -0.947 . . . . 0.0 110.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 11' ' ' ARG . 40.5 t -132.45 53.78 1.99 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.369 -0.832 . . . . 0.0 109.72 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.529 ' HG2' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.85 -19.3 24.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.497 -179.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.529 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 11.8 m-85 -78.75 -12.98 60.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 110.331 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 110.232 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.308 0.575 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.86 -30.26 14.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -43.62 38.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.389 -0.82 . . . . 0.0 110.102 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -79.78 153.38 29.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.2 m -80.64 2.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.208 -0.933 . . . . 0.0 110.151 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -110.84 -32.83 6.71 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -91.02 22.05 3.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.171 -0.956 . . . . 0.0 110.095 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.07 1.59 15.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 110.412 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.69 -78.03 0.37 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.145 -0.972 . . . . 0.0 110.275 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.22 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.401 0.62 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 22.4 m -65.74 -35.25 80.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.855 . . . . 0.0 109.437 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -38.84 54.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.488 -0.757 . . . . 0.0 109.98 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.32 -176.41 3.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.522 -0.736 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 6' ' ' VAL . 9.5 p -116.43 20.17 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -125.6 -36.42 2.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.187 -0.946 . . . . 0.0 109.9 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -97.99 6.15 47.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.139 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.483 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -66.31 -8.38 24.76 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.417 -0.802 . . . . 0.0 110.9 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -86.2 -59.17 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.212 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 110.663 -179.832 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.184 0.516 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.0 m -67.15 -28.29 68.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.353 -0.842 . . . . 0.0 109.98 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -9.4 58.59 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.878 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -103.69 170.57 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.379 -0.826 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.36 -28.72 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -84.52 -20.68 31.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.357 -0.839 . . . . 0.0 110.23 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.95 1.82 37.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.859 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.29 -24.62 3.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.94 . . . . 0.0 110.265 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.494 ' CE1' ' HD2' ' A' ' 9' ' ' ARG . 79.6 m-85 -70.47 -95.98 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 110.025 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.355 0.598 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.04 -26.7 4.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.219 -0.926 . . . . 0.0 110.593 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.76 25.55 2.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 110.471 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.05 157.61 37.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 110.208 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 21.2 t -76.34 -43.21 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.076 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.494 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.937 . . . . 0.0 109.768 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.494 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -108.8 76.82 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.438 -0.789 . . . . 0.0 109.698 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -99.93 -43.09 6.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.263 -0.898 . . . . 0.0 109.985 -179.471 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.24 -98.99 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 120.988 -1.07 . . . . 0.0 110.151 -179.869 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.15 0.5 . . . . 0.0 110.522 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' CYS . 5.8 m -36.75 -41.56 0.33 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.599 -0.688 . . . . 0.0 111.209 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -30.65 41.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.143 -0.973 . . . . 0.0 110.026 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' CYS . 17.4 m-20 -88.31 172.09 9.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 0.0 109.761 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.427 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 8.8 p -95.03 -25.46 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.065 -1.022 . . . . 0.0 110.195 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HG3' ' CG1' ' A' ' 6' ' ' VAL . 47.5 mtm180 -89.15 -2.56 58.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.34 -0.85 . . . . 0.0 110.753 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -102.44 -24.13 13.86 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.042 -1.036 . . . . 0.0 109.702 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -39.06 -28.05 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.578 -0.701 . . . . 0.0 110.678 -179.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 8' ' ' CYS . 11.0 m-85 -67.63 -83.64 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.0 110.016 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.834 . . . . 0.0 110.222 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.278 0.561 . . . . 0.0 110.341 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.18 -48.36 45.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 110.377 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -19.1 61.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.487 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 48.6 m-20 -85.61 170.43 12.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.301 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.46 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 5.2 m -98.69 1.4 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.357 -0.839 . . . . 0.0 110.709 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.4 -19.31 11.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.085 -1.01 . . . . 0.0 110.612 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -100.84 48.36 0.9 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.024 . . . . 0.0 110.226 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' HD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -81.43 -40.63 23.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.31 -0.869 . . . . 0.0 109.717 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -82.72 -22.75 34.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.391 -0.818 . . . . 0.0 110.243 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.357 0.598 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.31 -31.29 32.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -0.955 . . . . 0.0 110.409 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -24.18 2.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.538 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.45 -169.85 1.98 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.175 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -107.8 -35.42 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.72 -17.05 12.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 110.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.54 73.67 2.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.319 -0.863 . . . . 0.0 110.519 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.34 6.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.273 -0.892 . . . . 0.0 109.591 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 94.9 m-85 -75.82 -155.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 109.819 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.567 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 O-C-N 121.591 -0.693 . . . . 0.0 110.979 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 44.1 t . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.229 0.538 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.51 -26.2 3.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.192 -0.942 . . . . 0.0 110.414 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.46 2.64 35.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 110.498 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -104.94 -166.68 1.26 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -0.97 . . . . 0.0 110.336 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.68 -33.41 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.382 -0.824 . . . . 0.0 109.755 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -97.67 20.49 11.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.32 -0.863 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -147.41 64.74 1.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.586 -0.697 . . . . 0.0 109.363 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.92 -25.82 13.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.348 -0.845 . . . . 0.0 110.581 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -90.86 -41.98 10.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.97 . . . . 0.0 111.073 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 110.807 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.166 0.508 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.07 -17.09 55.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 0.0 110.385 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.35 18.69 3.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.26 -168.85 1.83 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 0.0 109.963 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 p -120.65 -28.26 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.996 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 1.11 34.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.276 -0.89 . . . . 0.0 109.991 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.34 -21.92 4.46 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 0.2 OUTLIER -57.98 -29.1 64.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.277 -0.889 . . . . 0.0 110.637 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -50.84 -68.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.137 -0.977 . . . . 0.0 110.503 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.734 -179.423 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.148 0.499 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.98 -32.92 9.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -19.06 65.72 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.439 -0.788 . . . . 0.0 110.389 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.4 163.08 13.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.319 -0.863 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -92.09 -8.74 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -94.22 -14.41 25.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.191 -0.943 . . . . 0.0 110.157 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -110.39 -16.21 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.845 . . . . 0.0 109.535 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' CYS . 3.0 ttt85 -34.21 -65.16 0.21 Allowed 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.535 0.683 . . . . 0.0 111.553 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.424 ' CE1' ' HD3' ' A' ' 9' ' ' ARG . 21.4 m-85 -65.95 -28.35 68.85 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.447 -0.783 . . . . 0.0 110.52 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.066 -1.022 . . . . 0.0 109.98 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.148 0.499 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.96 -25.43 52.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -9.49 28.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.0 109.763 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -120.1 176.45 5.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.943 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.0 22.98 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 110.37 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -117.39 -25.8 6.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.066 -1.021 . . . . 0.0 110.24 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -114.89 -2.46 12.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.15 -0.969 . . . . 0.0 110.097 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -44.45 -28.2 0.54 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.263 -0.898 . . . . 0.0 110.708 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ARG . 26.6 m-85 -41.34 -44.13 2.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.269 -0.894 . . . . 0.0 110.486 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.038 -1.039 . . . . 0.0 110.176 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.44 ' CA ' ' HB3' ' A' ' 8' ' ' CYS . 1.2 m . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.296 0.57 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -58.54 -33.28 69.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.397 -0.815 . . . . 0.0 110.426 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -18.94 37.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 110.319 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.34 145.45 43.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.15 7.58 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 110.323 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 7' ' ' ARG . 2.6 ptm85 -128.64 -18.89 3.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.211 -0.931 . . . . 0.0 110.595 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB3' ' CA ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -105.29 -2.05 24.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.129 -0.982 . . . . 0.0 110.29 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.536 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -54.46 -24.94 22.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.358 -0.839 . . . . 0.0 110.99 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.63 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.024 -1.047 . . . . 0.0 111.078 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 5.7 ptp180 . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.98 -1.075 . . . . 0.0 110.919 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 50.2 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.223 0.535 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 m -73.1 -16.92 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.236 -0.915 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -4.94 40.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 110.426 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -116.33 160.48 20.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.347 -0.845 . . . . 0.0 110.218 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.511 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 9.8 p -90.12 -9.5 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 0.0 110.118 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -102.41 -34.16 9.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.888 . . . . 0.0 110.685 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.6 t -82.91 -20.07 36.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.055 -1.028 . . . . 0.0 109.839 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.511 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -47.95 -20.99 0.37 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.479 -0.763 . . . . 0.0 110.856 179.633 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ARG . 6.7 m-85 -39.48 -86.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 0.0 111.313 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.183 -0.948 . . . . 0.0 111.211 -179.029 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.267 0.556 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.68 -47.01 20.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.91 . . . . 0.0 110.32 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.13 31.56 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.345 -0.847 . . . . 0.0 110.55 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 6.5 m-20 -50.75 167.08 0.07 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 110.202 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -101.78 -1.99 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.244 -0.91 . . . . 0.0 110.178 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -119.16 -27.85 5.59 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.353 -0.842 . . . . 0.0 109.507 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.36 19.51 9.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.448 -0.782 . . . . 0.0 110.591 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.45 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -59.45 -10.84 3.62 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.171 -0.956 . . . . 0.0 111.287 -179.594 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.446 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 77.4 m-85 -64.48 -165.33 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.102 . . . . 0.0 110.9 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.968 0 O-C-N 121.498 -0.751 . . . . 0.0 111.431 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.204 0.526 . . . . 0.0 110.639 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.0 m -91.83 -53.04 4.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.119 -0.988 . . . . 0.0 110.263 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -8.59 12.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.58 -0.7 . . . . 0.0 110.939 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.417 ' OD1' ' HA ' ' A' ' 2' ' ' CYS . 3.3 m-20 -84.72 168.77 14.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.1 -1.0 . . . . 0.0 110.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 10.9 p -114.07 -11.99 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 110.108 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -103.37 -12.81 16.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 2' ' ' CYS . 42.3 t -129.01 42.71 3.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.463 -0.773 . . . . 0.0 110.59 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.52 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -97.66 -10.82 24.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.9 -1.125 . . . . 0.0 110.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -58.33 -50.4 73.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 110.127 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.378 -0.826 . . . . 0.0 109.956 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.283 0.563 . . . . 0.0 110.225 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.3 -48.24 17.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.247 -0.908 . . . . 0.0 110.104 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -55.86 4.17 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 110.406 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -53.04 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.24 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 6' ' ' VAL . 10.9 t -120.94 7.61 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 110.244 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -123.47 -21.29 5.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.192 -0.943 . . . . 0.0 110.508 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 11.6 t -107.24 12.24 28.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.19 -0.944 . . . . 0.0 110.127 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -27.07 48.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.65 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -51.74 -56.9 11.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.209 -0.932 . . . . 0.0 110.751 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -179.721 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.294 0.569 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.57 -15.17 38.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.172 -0.955 . . . . 0.0 109.615 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 12.99 16.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 110.067 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.415 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 42.6 m-20 -124.69 114.35 19.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.495 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 12.5 m -56.11 -28.88 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.434 -0.791 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' N ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.58 -9.57 55.81 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.143 -0.973 . . . . 0.0 110.478 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 5' ' ' ASP . 3.8 t -117.99 35.12 4.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.244 -0.91 . . . . 0.0 110.897 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.19 8.21 22.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.05 -1.031 . . . . 0.0 110.379 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -75.78 -32.41 59.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.159 -0.963 . . . . 0.0 110.17 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.264 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.215 0.531 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -49.17 -28.11 4.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.146 -0.971 . . . . 0.0 110.508 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -37.69 32.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 110.132 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -53.17 160.6 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.032 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.47 -27.28 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.171 -0.955 . . . . 0.0 110.151 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 3.8 mtt180 -88.53 -29.17 20.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.289 -0.882 . . . . 0.0 110.146 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -94.07 67.36 3.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 109.488 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.467 ' HD2' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -94.95 -32.04 13.37 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.411 -0.806 . . . . 0.0 110.449 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 39.8 m-85 -90.24 -96.18 0.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.785 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.078 -1.014 . . . . 0.0 110.123 -179.727 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.438 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -112.69 -45.04 3.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.208 -1.172 . . . . 0.0 110.458 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -11.99 48.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.26 -0.9 . . . . 0.0 110.658 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -11.78 60.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.856 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -109.32 8.48 25.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.061 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.3 t 52.35 16.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 111.003 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -123.58 -20.86 5.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.994 -1.066 . . . . 0.0 109.954 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 1.9 t -100.64 78.7 2.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.493 -0.754 . . . . 0.0 109.322 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -93.84 -38.37 11.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.392 -0.817 . . . . 0.0 110.161 -179.428 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.9 m-30 -53.67 -70.77 0.09 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.683 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -25.23 62.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 0.0 110.695 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 26.2 t -53.21 -46.68 69.16 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.152 -0.967 . . . . 0.0 110.215 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 4.7 mtt180 . . . . . 0 C--N 1.3 -1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 110.111 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -66.91 -31.74 72.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.094 -1.239 . . . . 0.0 110.129 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -84.47 -47.52 10.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.902 . . . . 0.0 110.032 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -42.77 -28.25 0.23 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 0.0 110.362 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.96 -154.66 0.44 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.256 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -135.64 1.44 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 110.504 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -96.17 -23.38 16.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.184 -0.947 . . . . 0.0 110.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 11' ' ' ARG . 40.5 t -132.45 53.78 1.99 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.369 -0.832 . . . . 0.0 109.72 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.529 ' HG2' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.85 -19.3 24.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.497 -179.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.529 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 11.8 m-85 -78.75 -12.98 60.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 110.331 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -78.74 -63.13 1.48 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 110.232 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -39.3 -86.1 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.434 -0.791 . . . . 0.0 110.711 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 . . . . . 0 N--CA 1.493 1.677 0 O-C-N 120.944 -1.098 . . . . 0.0 110.18 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -106.44 -32.72 7.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -1.121 . . . . 0.0 110.005 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 3.7 m -50.86 -30.26 14.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -43.62 38.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.389 -0.82 . . . . 0.0 110.102 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -79.78 153.38 29.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.2 m -80.64 2.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.208 -0.933 . . . . 0.0 110.151 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -110.84 -32.83 6.71 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -91.02 22.05 3.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.171 -0.956 . . . . 0.0 110.095 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.07 1.59 15.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 110.412 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.69 -78.03 0.37 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.145 -0.972 . . . . 0.0 110.275 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -88.82 79.76 7.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.22 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 9.0 m -86.4 -82.16 0.2 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.277 -0.889 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.208 -0.933 . . . . 0.0 110.234 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 -43.21 0.73 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.254 -1.145 . . . . 0.0 109.564 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 22.4 m -65.74 -35.25 80.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.855 . . . . 0.0 109.437 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -38.84 54.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.488 -0.757 . . . . 0.0 109.98 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.32 -176.41 3.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.522 -0.736 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 6' ' ' VAL . 9.5 p -116.43 20.17 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -125.6 -36.42 2.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.187 -0.946 . . . . 0.0 109.9 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -97.99 6.15 47.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.139 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.483 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -66.31 -8.38 24.76 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.417 -0.802 . . . . 0.0 110.9 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -86.2 -59.17 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.212 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -58.85 -39.16 80.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 110.663 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 4.1 p -87.14 30.19 0.79 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.215 -0.928 . . . . 0.0 110.648 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 9' ' ' ARG . 5.6 mtp180 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.257 -0.902 . . . . 0.0 110.294 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -83.43 -20.65 33.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -1.192 . . . . 0.0 110.147 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 32.0 m -67.15 -28.29 68.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.353 -0.842 . . . . 0.0 109.98 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -9.4 58.59 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.878 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -103.69 170.57 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.379 -0.826 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.36 -28.72 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -84.52 -20.68 31.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.357 -0.839 . . . . 0.0 110.23 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.95 1.82 37.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.859 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.29 -24.62 3.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.94 . . . . 0.0 110.265 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.494 ' CE1' ' HD2' ' A' ' 9' ' ' ARG . 79.6 m-85 -70.47 -95.98 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -67.44 90.48 0.24 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 110.025 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -89.59 89.98 8.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.192 -0.943 . . . . 0.0 110.34 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 110.158 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.488 ' HB3' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -166.66 -42.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.324 -1.103 . . . . 0.0 110.459 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.04 -26.7 4.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.219 -0.926 . . . . 0.0 110.593 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.76 25.55 2.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 110.471 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.05 157.61 37.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 110.208 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 21.2 t -76.34 -43.21 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.076 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.494 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.937 . . . . 0.0 109.768 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.494 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -108.8 76.82 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.438 -0.789 . . . . 0.0 109.698 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -99.93 -43.09 6.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.263 -0.898 . . . . 0.0 109.985 -179.471 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.24 -98.99 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -56.32 101.43 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.988 -1.07 . . . . 0.0 110.151 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 2' ' ' CYS . 89.6 m -90.36 88.62 7.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.0 110.258 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 110.262 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -116.34 -66.36 1.09 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.153 -1.204 . . . . 0.0 110.522 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' CYS . 5.8 m -36.75 -41.56 0.33 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.599 -0.688 . . . . 0.0 111.209 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -30.65 41.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.143 -0.973 . . . . 0.0 110.026 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' CYS . 17.4 m-20 -88.31 172.09 9.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 0.0 109.761 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 8.8 p -95.03 -25.46 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.065 -1.022 . . . . 0.0 110.195 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HG3' ' CG1' ' A' ' 6' ' ' VAL . 47.5 mtm180 -89.15 -2.56 58.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.34 -0.85 . . . . 0.0 110.753 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -102.44 -24.13 13.86 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.042 -1.036 . . . . 0.0 109.702 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -39.06 -28.05 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.578 -0.701 . . . . 0.0 110.678 -179.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 8' ' ' CYS . 11.0 m-85 -67.63 -83.64 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.0 110.016 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -90.27 64.34 6.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.834 . . . . 0.0 110.222 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 1.1 m -60.84 82.36 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.274 -0.891 . . . . 0.0 110.621 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' ARG . 2.3 ptp85 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.249 -0.907 . . . . 0.0 110.303 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.8 OUTLIER -159.79 -63.42 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -1.177 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.18 -48.36 45.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 110.377 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -19.1 61.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.487 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 48.6 m-20 -85.61 170.43 12.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.301 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 5.2 m -98.69 1.4 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.357 -0.839 . . . . 0.0 110.709 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.4 -19.31 11.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.085 -1.01 . . . . 0.0 110.612 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -100.84 48.36 0.9 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.024 . . . . 0.0 110.226 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' HD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -81.43 -40.63 23.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.31 -0.869 . . . . 0.0 109.717 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -82.72 -22.75 34.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -24.57 36.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.391 -0.818 . . . . 0.0 110.243 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -69.95 -80.44 0.05 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.155 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.3 t -88.48 -27.71 21.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.284 -1.127 . . . . 0.0 110.382 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -52.31 -31.29 32.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -0.955 . . . . 0.0 110.409 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -24.18 2.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.538 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.45 -169.85 1.98 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.175 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -107.8 -35.42 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.72 -17.05 12.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 110.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -98.54 73.67 2.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.319 -0.863 . . . . 0.0 110.519 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.34 6.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.273 -0.892 . . . . 0.0 109.591 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' CYS . 94.9 m-85 -75.82 -155.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 109.819 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.567 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -37.82 90.29 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.591 -0.693 . . . . 0.0 110.979 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' TYR . 26.8 p -87.56 77.1 8.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.055 -1.028 . . . . 0.0 110.173 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.254 -0.904 . . . . 0.0 110.148 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 44.1 t -105.28 -72.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.186 -1.185 . . . . 0.0 110.501 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -49.51 -26.2 3.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.192 -0.942 . . . . 0.0 110.414 -179.774 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.46 2.64 35.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 110.498 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -104.94 -166.68 1.26 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -0.97 . . . . 0.0 110.336 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.68 -33.41 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.382 -0.824 . . . . 0.0 109.755 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -97.67 20.49 11.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.32 -0.863 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -147.41 64.74 1.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.586 -0.697 . . . . 0.0 109.363 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -100.92 -25.82 13.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.348 -0.845 . . . . 0.0 110.581 -179.169 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -90.86 -41.98 10.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.97 . . . . 0.0 111.073 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -54.93 -19.28 6.33 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 110.807 -179.338 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 13' ' ' ARG . 19.6 p -89.21 -138.71 0.12 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.017 -1.052 . . . . 0.0 110.591 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 1.2 mmt180 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.162 -0.961 . . . . 0.0 110.11 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -145.57 10.72 1.25 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.226 -1.161 . . . . 0.0 110.32 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.07 -17.09 55.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 0.0 110.385 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.35 18.69 3.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.26 -168.85 1.83 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 0.0 109.963 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 p -120.65 -28.26 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.996 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 1.11 34.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.276 -0.89 . . . . 0.0 109.991 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.34 -21.92 4.46 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -57.98 -29.1 64.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.277 -0.889 . . . . 0.0 110.637 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -50.84 -68.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.137 -0.977 . . . . 0.0 110.503 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -86.67 26.61 1.08 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.734 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 9' ' ' ARG . 1.5 p -90.11 16.65 8.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.101 -0.999 . . . . 0.0 110.097 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' CYS . 3.5 mtt85 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.297 -0.877 . . . . 0.0 110.289 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.22 -52.96 31.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.269 -1.136 . . . . 0.0 110.209 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.98 -32.92 9.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -19.06 65.72 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.439 -0.788 . . . . 0.0 110.389 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.4 163.08 13.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.319 -0.863 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -92.09 -8.74 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -94.22 -14.41 25.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.191 -0.943 . . . . 0.0 110.157 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -110.39 -16.21 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.845 . . . . 0.0 109.535 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' CYS . 3.0 ttt85 -34.21 -65.16 0.21 Allowed 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.535 0.683 . . . . 0.0 111.553 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.424 ' CE1' ' HD3' ' A' ' 9' ' ' ARG . 21.4 m-85 -65.95 -28.35 68.85 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.447 -0.783 . . . . 0.0 110.52 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -10.19 58.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.066 -1.022 . . . . 0.0 109.98 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 8' ' ' CYS . 11.5 t -87.02 89.43 7.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.427 -0.796 . . . . 0.0 110.151 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -107.19 -19.67 13.53 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.252 -1.146 . . . . 0.0 110.436 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.96 -25.43 52.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -9.49 28.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.0 109.763 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -120.1 176.45 5.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.943 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.0 22.98 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 110.37 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -117.39 -25.8 6.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.066 -1.021 . . . . 0.0 110.24 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -114.89 -2.46 12.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.15 -0.969 . . . . 0.0 110.097 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -44.45 -28.2 0.54 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.263 -0.898 . . . . 0.0 110.708 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ARG . 26.6 m-85 -41.34 -44.13 2.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.269 -0.894 . . . . 0.0 110.486 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.92 -18.13 44.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.038 -1.039 . . . . 0.0 110.176 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ARG . 3.4 t -87.08 75.31 9.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.133 -0.979 . . . . 0.0 110.056 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.15 -0.969 . . . . 0.0 110.065 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' CA ' ' HB3' ' A' ' 8' ' ' CYS . 1.2 m -56.42 -38.87 72.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -1.106 . . . . 0.0 110.009 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 4.3 m -58.54 -33.28 69.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.397 -0.815 . . . . 0.0 110.426 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -18.94 37.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 110.319 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.34 145.45 43.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.15 7.58 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 110.323 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 7' ' ' ARG . 2.6 ptm85 -128.64 -18.89 3.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.211 -0.931 . . . . 0.0 110.595 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB3' ' CA ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -105.29 -2.05 24.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.129 -0.982 . . . . 0.0 110.29 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.536 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -54.46 -24.94 22.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.358 -0.839 . . . . 0.0 110.99 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.63 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.024 -1.047 . . . . 0.0 111.078 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 5.7 ptp180 -71.56 62.74 0.39 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.98 -1.075 . . . . 0.0 110.919 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 33.9 t -90.29 -17.43 27.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.124 -0.985 . . . . 0.0 109.786 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.835 . . . . 0.0 110.176 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 50.2 t -85.38 -38.25 18.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -1.114 . . . . 0.0 110.215 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 m -73.1 -16.92 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.236 -0.915 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -4.94 40.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 110.426 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -116.33 160.48 20.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.347 -0.845 . . . . 0.0 110.218 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.511 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 9.8 p -90.12 -9.5 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 0.0 110.118 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -102.41 -34.16 9.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.888 . . . . 0.0 110.685 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.6 t -82.91 -20.07 36.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.055 -1.028 . . . . 0.0 109.839 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.511 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -47.95 -20.99 0.37 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.479 -0.763 . . . . 0.0 110.856 179.633 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ARG . 6.7 m-85 -39.48 -86.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 0.0 111.313 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -71.75 0.66 8.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.183 -0.948 . . . . 0.0 111.211 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 5.3 t -85.38 51.05 2.08 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.067 -1.021 . . . . 0.0 110.617 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.239 -0.913 . . . . 0.0 110.342 179.551 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -152.67 -39.02 0.1 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -1.109 . . . . 0.0 110.237 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.68 -47.01 20.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.91 . . . . 0.0 110.32 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.13 31.56 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.345 -0.847 . . . . 0.0 110.55 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 6.5 m-20 -50.75 167.08 0.07 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 110.202 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -101.78 -1.99 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.244 -0.91 . . . . 0.0 110.178 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -119.16 -27.85 5.59 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.353 -0.842 . . . . 0.0 109.507 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.36 19.51 9.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.448 -0.782 . . . . 0.0 110.591 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -59.45 -10.84 3.62 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.171 -0.956 . . . . 0.0 111.287 -179.594 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.446 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 77.4 m-85 -64.48 -165.33 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.102 . . . . 0.0 110.9 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -39.03 105.12 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.498 -0.751 . . . . 0.0 111.431 -179.425 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.9 m -91.43 74.66 6.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.118 -0.989 . . . . 0.0 110.671 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 N--CA 1.494 1.765 0 O-C-N 120.871 -1.143 . . . . 0.0 110.511 179.679 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 46.32 20.12 0.08 Allowed 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.223 -1.163 . . . . 0.0 110.639 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 1' ' ' GLY . 37.0 m -91.83 -53.04 4.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.119 -0.988 . . . . 0.0 110.263 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -8.59 12.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.58 -0.7 . . . . 0.0 110.939 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.417 ' OD1' ' HA ' ' A' ' 2' ' ' CYS . 3.3 m-20 -84.72 168.77 14.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.1 -1.0 . . . . 0.0 110.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 10.9 p -114.07 -11.99 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 110.108 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -103.37 -12.81 16.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 2' ' ' CYS . 42.3 t -129.01 42.71 3.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.463 -0.773 . . . . 0.0 110.59 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -97.66 -10.82 24.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.9 -1.125 . . . . 0.0 110.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -58.33 -50.4 73.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 110.127 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -67.98 -34.09 75.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.378 -0.826 . . . . 0.0 109.956 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 t -62.66 83.78 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.257 -0.902 . . . . 0.0 109.967 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' ARG . 11.7 mtm180 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 110.22 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -117.22 -1.13 11.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -1.162 . . . . 0.0 110.225 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.3 -48.24 17.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.247 -0.908 . . . . 0.0 110.104 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -55.86 4.17 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 110.406 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -53.04 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.24 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 6' ' ' VAL . 10.9 t -120.94 7.61 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 110.244 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -123.47 -21.29 5.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.192 -0.943 . . . . 0.0 110.508 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 11.6 t -107.24 12.24 28.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.19 -0.944 . . . . 0.0 110.127 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -27.07 48.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.65 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -51.74 -56.9 11.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.209 -0.932 . . . . 0.0 110.751 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -85.04 21.97 1.52 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 44.5 t -90.75 30.16 1.22 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.023 -1.048 . . . . 0.0 110.526 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.194 -0.941 . . . . 0.0 110.174 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 24.92 0.73 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.192 -1.181 . . . . 0.0 110.272 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.57 -15.17 38.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.172 -0.955 . . . . 0.0 109.615 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 12.99 16.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 110.067 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.415 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 42.6 m-20 -124.69 114.35 19.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.495 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 12.5 m -56.11 -28.88 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.434 -0.791 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' N ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.58 -9.57 55.81 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.143 -0.973 . . . . 0.0 110.478 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 5' ' ' ASP . 3.8 t -117.99 35.12 4.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.244 -0.91 . . . . 0.0 110.897 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.19 8.21 22.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.05 -1.031 . . . . 0.0 110.379 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -75.78 -32.41 59.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.159 -0.963 . . . . 0.0 110.17 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.1 -55.93 4.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.264 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -76.51 64.35 2.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.307 -0.871 . . . . 0.0 110.462 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.249 -0.907 . . . . 0.0 110.212 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -50.23 18.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -1.192 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -49.17 -28.11 4.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.146 -0.971 . . . . 0.0 110.508 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -37.69 32.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 110.132 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -53.17 160.6 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.032 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.47 -27.28 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.171 -0.955 . . . . 0.0 110.151 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 3.8 mtt180 -88.53 -29.17 20.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.289 -0.882 . . . . 0.0 110.146 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -94.07 67.36 3.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 109.488 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' HD2' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -94.95 -32.04 13.37 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.411 -0.806 . . . . 0.0 110.449 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 39.8 m-85 -90.24 -96.18 0.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.785 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -63.55 85.31 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.078 -1.014 . . . . 0.0 110.123 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.63 -44.36 97.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.162 -0.962 . . . . 0.0 110.062 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.44 -0.787 . . . . 0.0 110.165 179.776 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.464 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.258 0.552 . . . . 0.0 110.458 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -11.99 48.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.26 -0.9 . . . . 0.0 110.658 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -11.78 60.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.856 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -109.32 8.48 25.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.061 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.556 ' O ' HG12 ' A' ' 6' ' ' VAL . 34.3 t 52.35 16.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -123.58 -20.86 5.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.994 -1.066 . . . . 0.0 109.954 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 1.9 t -100.64 78.7 2.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.493 -0.754 . . . . 0.0 109.322 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.429 ' H ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -93.84 -38.37 11.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.392 -0.817 . . . . 0.0 110.161 -179.428 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.9 m-30 -53.67 -70.77 0.09 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.683 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 0.0 110.695 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.345 0.593 . . . . 0.0 110.129 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -84.47 -47.52 10.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.902 . . . . 0.0 110.032 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -42.77 -28.25 0.23 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 0.0 110.362 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.96 -154.66 0.44 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.256 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.9 p -135.64 1.44 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 110.504 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -96.17 -23.38 16.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.184 -0.947 . . . . 0.0 110.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 11' ' ' ARG . 40.5 t -132.45 53.78 1.99 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.369 -0.832 . . . . 0.0 109.72 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.535 ' HG2' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.85 -19.3 24.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.497 -179.605 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 11.8 m-85 -78.75 -12.98 60.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 110.331 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.484 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 110.232 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.308 0.575 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.86 -30.26 14.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -43.62 38.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.389 -0.82 . . . . 0.0 110.102 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -79.78 153.38 29.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.2 m -80.64 2.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.208 -0.933 . . . . 0.0 110.151 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -110.84 -32.83 6.71 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -91.02 22.05 3.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.171 -0.956 . . . . 0.0 110.095 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.07 1.59 15.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 110.412 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.69 -78.03 0.37 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.145 -0.972 . . . . 0.0 110.275 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.22 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.401 0.62 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 22.4 m -65.74 -35.25 80.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.855 . . . . 0.0 109.437 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -38.84 54.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.488 -0.757 . . . . 0.0 109.98 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.32 -176.41 3.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.522 -0.736 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.5 p -116.43 20.17 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -125.6 -36.42 2.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.187 -0.946 . . . . 0.0 109.9 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -97.99 6.15 47.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.139 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -66.31 -8.38 24.76 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.417 -0.802 . . . . 0.0 110.9 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -86.2 -59.17 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.212 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 110.663 -179.832 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.184 0.516 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.0 m -67.15 -28.29 68.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.353 -0.842 . . . . 0.0 109.98 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -9.4 58.59 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.878 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -103.69 170.57 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.379 -0.826 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.36 -28.72 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -84.52 -20.68 31.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.357 -0.839 . . . . 0.0 110.23 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.95 1.82 37.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.859 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.518 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.29 -24.62 3.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.94 . . . . 0.0 110.265 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CE1' ' HD2' ' A' ' 9' ' ' ARG . 79.6 m-85 -70.47 -95.98 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 110.025 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.355 0.598 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.04 -26.7 4.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.219 -0.926 . . . . 0.0 110.593 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.76 25.55 2.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 110.471 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.05 157.61 37.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 110.208 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 21.2 t -76.34 -43.21 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.076 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.508 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.937 . . . . 0.0 109.768 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -108.8 76.82 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.438 -0.789 . . . . 0.0 109.698 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -99.93 -43.09 6.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.263 -0.898 . . . . 0.0 109.985 -179.471 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.24 -98.99 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 120.988 -1.07 . . . . 0.0 110.151 -179.869 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.485 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.15 0.5 . . . . 0.0 110.522 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' CYS . 5.8 m -36.75 -41.56 0.33 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.599 -0.688 . . . . 0.0 111.209 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -30.65 41.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.143 -0.973 . . . . 0.0 110.026 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 2' ' ' CYS . 17.4 m-20 -88.31 172.09 9.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 0.0 109.761 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.586 HG13 ' HG3' ' A' ' 7' ' ' ARG . 8.8 p -95.03 -25.46 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.065 -1.022 . . . . 0.0 110.195 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.586 ' HG3' HG13 ' A' ' 6' ' ' VAL . 47.5 mtm180 -89.15 -2.56 58.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.34 -0.85 . . . . 0.0 110.753 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.485 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -102.44 -24.13 13.86 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.042 -1.036 . . . . 0.0 109.702 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -39.06 -28.05 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.578 -0.701 . . . . 0.0 110.678 -179.77 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 8' ' ' CYS . 11.0 m-85 -67.63 -83.64 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.0 110.016 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.834 . . . . 0.0 110.222 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.451 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.278 0.561 . . . . 0.0 110.341 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.18 -48.36 45.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 110.377 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -19.1 61.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.487 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 48.6 m-20 -85.61 170.43 12.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.301 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.449 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 5.2 m -98.69 1.4 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.357 -0.839 . . . . 0.0 110.709 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.4 -19.31 11.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.085 -1.01 . . . . 0.0 110.612 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.451 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -100.84 48.36 0.9 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.024 . . . . 0.0 110.226 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -81.43 -40.63 23.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.31 -0.869 . . . . 0.0 109.717 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -82.72 -22.75 34.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.391 -0.818 . . . . 0.0 110.243 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.357 0.598 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.31 -31.29 32.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -0.955 . . . . 0.0 110.409 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -24.18 2.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.538 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.45 -169.85 1.98 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.175 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -107.8 -35.42 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.72 -17.05 12.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 110.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.54 73.67 2.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.319 -0.863 . . . . 0.0 110.519 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.34 6.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.273 -0.892 . . . . 0.0 109.591 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 94.9 m-85 -75.82 -155.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 109.819 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 O-C-N 121.591 -0.693 . . . . 0.0 110.979 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 44.1 t . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.229 0.538 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.51 -26.2 3.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.192 -0.942 . . . . 0.0 110.414 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.46 2.64 35.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 110.498 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -104.94 -166.68 1.26 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -0.97 . . . . 0.0 110.336 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.68 -33.41 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.382 -0.824 . . . . 0.0 109.755 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -97.67 20.49 11.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.32 -0.863 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -147.41 64.74 1.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.586 -0.697 . . . . 0.0 109.363 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' H ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -100.92 -25.82 13.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.348 -0.845 . . . . 0.0 110.581 -179.169 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -90.86 -41.98 10.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.97 . . . . 0.0 111.073 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 110.807 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.166 0.508 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.07 -17.09 55.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 0.0 110.385 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.35 18.69 3.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.26 -168.85 1.83 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 0.0 109.963 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.425 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 1.9 p -120.65 -28.26 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.996 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 1.11 34.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.276 -0.89 . . . . 0.0 109.991 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.34 -21.92 4.46 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -57.98 -29.1 64.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.277 -0.889 . . . . 0.0 110.637 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -50.84 -68.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.137 -0.977 . . . . 0.0 110.503 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.734 -179.423 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.148 0.499 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.98 -32.92 9.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -19.06 65.72 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.439 -0.788 . . . . 0.0 110.389 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.4 163.08 13.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.319 -0.863 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -92.09 -8.74 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -94.22 -14.41 25.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.191 -0.943 . . . . 0.0 110.157 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -110.39 -16.21 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.845 . . . . 0.0 109.535 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' CYS . 3.0 ttt85 -34.21 -65.16 0.21 Allowed 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.535 0.683 . . . . 0.0 111.553 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' CE1' ' HD3' ' A' ' 9' ' ' ARG . 21.4 m-85 -65.95 -28.35 68.85 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.447 -0.783 . . . . 0.0 110.52 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.066 -1.022 . . . . 0.0 109.98 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.148 0.499 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.96 -25.43 52.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -9.49 28.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.0 109.763 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -120.1 176.45 5.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.943 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.0 22.98 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 110.37 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -117.39 -25.8 6.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.066 -1.021 . . . . 0.0 110.24 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -114.89 -2.46 12.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.15 -0.969 . . . . 0.0 110.097 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -44.45 -28.2 0.54 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.263 -0.898 . . . . 0.0 110.708 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ARG . 26.6 m-85 -41.34 -44.13 2.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.269 -0.894 . . . . 0.0 110.486 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.038 -1.039 . . . . 0.0 110.176 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.448 ' CA ' ' HB3' ' A' ' 8' ' ' CYS . 1.2 m . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.296 0.57 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -58.54 -33.28 69.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.397 -0.815 . . . . 0.0 110.426 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -18.94 37.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 110.319 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.34 145.45 43.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.15 7.58 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 110.323 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 7' ' ' ARG . 2.6 ptm85 -128.64 -18.89 3.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.211 -0.931 . . . . 0.0 110.595 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HB3' ' CA ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -105.29 -2.05 24.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.129 -0.982 . . . . 0.0 110.29 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.542 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -54.46 -24.94 22.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.358 -0.839 . . . . 0.0 110.99 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.63 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.024 -1.047 . . . . 0.0 111.078 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 5.7 ptp180 . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.98 -1.075 . . . . 0.0 110.919 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 50.2 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.223 0.535 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 m -73.1 -16.92 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.236 -0.915 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -4.94 40.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 110.426 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -116.33 160.48 20.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.347 -0.845 . . . . 0.0 110.218 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.511 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 9.8 p -90.12 -9.5 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 0.0 110.118 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -102.41 -34.16 9.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.888 . . . . 0.0 110.685 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.6 t -82.91 -20.07 36.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.055 -1.028 . . . . 0.0 109.839 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.511 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -47.95 -20.99 0.37 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.479 -0.763 . . . . 0.0 110.856 179.633 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ARG . 6.7 m-85 -39.48 -86.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 0.0 111.313 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.183 -0.948 . . . . 0.0 111.211 -179.029 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.267 0.556 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.68 -47.01 20.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.91 . . . . 0.0 110.32 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.13 31.56 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.345 -0.847 . . . . 0.0 110.55 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 6.5 m-20 -50.75 167.08 0.07 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 110.202 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -101.78 -1.99 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.244 -0.91 . . . . 0.0 110.178 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -119.16 -27.85 5.59 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.353 -0.842 . . . . 0.0 109.507 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.36 19.51 9.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.448 -0.782 . . . . 0.0 110.591 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -59.45 -10.84 3.62 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.171 -0.956 . . . . 0.0 111.287 -179.594 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 77.4 m-85 -64.48 -165.33 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.102 . . . . 0.0 110.9 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.968 0 O-C-N 121.498 -0.751 . . . . 0.0 111.431 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.486 ' HA ' ' OD1' ' A' ' 5' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.204 0.526 . . . . 0.0 110.639 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.0 m -91.83 -53.04 4.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.119 -0.988 . . . . 0.0 110.263 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -8.59 12.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.58 -0.7 . . . . 0.0 110.939 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.486 ' OD1' ' HA ' ' A' ' 2' ' ' CYS . 3.3 m-20 -84.72 168.77 14.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.1 -1.0 . . . . 0.0 110.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 10.9 p -114.07 -11.99 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 110.108 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -103.37 -12.81 16.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 2' ' ' CYS . 42.3 t -129.01 42.71 3.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.463 -0.773 . . . . 0.0 110.59 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.52 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -97.66 -10.82 24.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.9 -1.125 . . . . 0.0 110.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -58.33 -50.4 73.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 110.127 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.378 -0.826 . . . . 0.0 109.956 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.283 0.563 . . . . 0.0 110.225 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.3 -48.24 17.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.247 -0.908 . . . . 0.0 110.104 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -55.86 4.17 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 110.406 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -53.04 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.24 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 t -120.94 7.61 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 110.244 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -123.47 -21.29 5.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.192 -0.943 . . . . 0.0 110.508 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 11.6 t -107.24 12.24 28.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.19 -0.944 . . . . 0.0 110.127 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -27.07 48.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.65 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -51.74 -56.9 11.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.209 -0.932 . . . . 0.0 110.751 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -179.721 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.294 0.569 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.57 -15.17 38.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.172 -0.955 . . . . 0.0 109.615 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 12.99 16.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 110.067 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.461 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 42.6 m-20 -124.69 114.35 19.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 12.5 m -56.11 -28.88 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.434 -0.791 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -9.57 55.81 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.143 -0.973 . . . . 0.0 110.478 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 5' ' ' ASP . 3.8 t -117.99 35.12 4.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.244 -0.91 . . . . 0.0 110.897 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.19 8.21 22.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.05 -1.031 . . . . 0.0 110.379 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -75.78 -32.41 59.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.159 -0.963 . . . . 0.0 110.17 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.264 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.215 0.531 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -49.17 -28.11 4.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.146 -0.971 . . . . 0.0 110.508 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -37.69 32.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 110.132 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -53.17 160.6 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.032 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.47 -27.28 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.171 -0.955 . . . . 0.0 110.151 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 3.8 mtt180 -88.53 -29.17 20.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.289 -0.882 . . . . 0.0 110.146 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -94.07 67.36 3.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 109.488 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -94.95 -32.04 13.37 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.411 -0.806 . . . . 0.0 110.449 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 39.8 m-85 -90.24 -96.18 0.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.785 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.078 -1.014 . . . . 0.0 110.123 -179.727 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.464 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -112.69 -45.04 3.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.208 -1.172 . . . . 0.0 110.458 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -11.99 48.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.26 -0.9 . . . . 0.0 110.658 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -11.78 60.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.856 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -109.32 8.48 25.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.061 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.556 ' O ' HG12 ' A' ' 6' ' ' VAL . 34.3 t 52.35 16.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -123.58 -20.86 5.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.994 -1.066 . . . . 0.0 109.954 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 1.9 t -100.64 78.7 2.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.493 -0.754 . . . . 0.0 109.322 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -93.84 -38.37 11.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.392 -0.817 . . . . 0.0 110.161 -179.428 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.9 m-30 -53.67 -70.77 0.09 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.683 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -25.23 62.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 0.0 110.695 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 26.2 t -53.21 -46.68 69.16 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.152 -0.967 . . . . 0.0 110.215 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 4.7 mtt180 . . . . . 0 C--N 1.3 -1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 110.111 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -66.91 -31.74 72.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.094 -1.239 . . . . 0.0 110.129 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -84.47 -47.52 10.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.902 . . . . 0.0 110.032 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -42.77 -28.25 0.23 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 0.0 110.362 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.96 -154.66 0.44 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.256 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.9 p -135.64 1.44 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 110.504 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -96.17 -23.38 16.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.184 -0.947 . . . . 0.0 110.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 11' ' ' ARG . 40.5 t -132.45 53.78 1.99 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.369 -0.832 . . . . 0.0 109.72 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.535 ' HG2' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.85 -19.3 24.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.497 -179.605 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 11.8 m-85 -78.75 -12.98 60.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 110.331 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.484 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -78.74 -63.13 1.48 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 110.232 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -39.3 -86.1 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.434 -0.791 . . . . 0.0 110.711 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 . . . . . 0 N--CA 1.493 1.677 0 O-C-N 120.944 -1.098 . . . . 0.0 110.18 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -106.44 -32.72 7.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -1.121 . . . . 0.0 110.005 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 3.7 m -50.86 -30.26 14.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -43.62 38.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.389 -0.82 . . . . 0.0 110.102 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -79.78 153.38 29.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.2 m -80.64 2.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.208 -0.933 . . . . 0.0 110.151 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -110.84 -32.83 6.71 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -91.02 22.05 3.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.171 -0.956 . . . . 0.0 110.095 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.428 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.07 1.59 15.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 110.412 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.69 -78.03 0.37 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.145 -0.972 . . . . 0.0 110.275 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -88.82 79.76 7.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.22 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 9.0 m -86.4 -82.16 0.2 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.277 -0.889 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.208 -0.933 . . . . 0.0 110.234 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 -43.21 0.73 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.254 -1.145 . . . . 0.0 109.564 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 22.4 m -65.74 -35.25 80.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.855 . . . . 0.0 109.437 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -38.84 54.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.488 -0.757 . . . . 0.0 109.98 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.32 -176.41 3.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.522 -0.736 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.5 p -116.43 20.17 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -125.6 -36.42 2.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.187 -0.946 . . . . 0.0 109.9 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -97.99 6.15 47.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.139 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -66.31 -8.38 24.76 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.417 -0.802 . . . . 0.0 110.9 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -86.2 -59.17 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.212 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -58.85 -39.16 80.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 110.663 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 4.1 p -87.14 30.19 0.79 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.215 -0.928 . . . . 0.0 110.648 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 9' ' ' ARG . 5.6 mtp180 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.257 -0.902 . . . . 0.0 110.294 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -83.43 -20.65 33.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -1.192 . . . . 0.0 110.147 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 32.0 m -67.15 -28.29 68.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.353 -0.842 . . . . 0.0 109.98 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -9.4 58.59 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.878 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -103.69 170.57 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.379 -0.826 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.36 -28.72 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -84.52 -20.68 31.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.357 -0.839 . . . . 0.0 110.23 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.95 1.82 37.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.859 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.518 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.29 -24.62 3.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.94 . . . . 0.0 110.265 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CE1' ' HD2' ' A' ' 9' ' ' ARG . 79.6 m-85 -70.47 -95.98 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -67.44 90.48 0.24 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 110.025 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -89.59 89.98 8.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.192 -0.943 . . . . 0.0 110.34 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 110.158 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -166.66 -42.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.324 -1.103 . . . . 0.0 110.459 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.04 -26.7 4.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.219 -0.926 . . . . 0.0 110.593 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.76 25.55 2.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 110.471 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.05 157.61 37.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 110.208 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 21.2 t -76.34 -43.21 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.076 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.508 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.937 . . . . 0.0 109.768 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -108.8 76.82 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.438 -0.789 . . . . 0.0 109.698 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -99.93 -43.09 6.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.263 -0.898 . . . . 0.0 109.985 -179.471 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.24 -98.99 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -56.32 101.43 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.988 -1.07 . . . . 0.0 110.151 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 2' ' ' CYS . 89.6 m -90.36 88.62 7.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.0 110.258 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 110.262 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.485 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -116.34 -66.36 1.09 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.153 -1.204 . . . . 0.0 110.522 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' CYS . 5.8 m -36.75 -41.56 0.33 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.599 -0.688 . . . . 0.0 111.209 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -30.65 41.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.143 -0.973 . . . . 0.0 110.026 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 2' ' ' CYS . 17.4 m-20 -88.31 172.09 9.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 0.0 109.761 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.586 HG13 ' HG3' ' A' ' 7' ' ' ARG . 8.8 p -95.03 -25.46 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.065 -1.022 . . . . 0.0 110.195 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' HG3' HG13 ' A' ' 6' ' ' VAL . 47.5 mtm180 -89.15 -2.56 58.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.34 -0.85 . . . . 0.0 110.753 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.485 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -102.44 -24.13 13.86 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.042 -1.036 . . . . 0.0 109.702 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -39.06 -28.05 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.578 -0.701 . . . . 0.0 110.678 -179.77 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 8' ' ' CYS . 11.0 m-85 -67.63 -83.64 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.0 110.016 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -90.27 64.34 6.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.834 . . . . 0.0 110.222 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 1.1 m -60.84 82.36 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.274 -0.891 . . . . 0.0 110.621 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' ARG . 2.3 ptp85 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.249 -0.907 . . . . 0.0 110.303 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.451 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -159.79 -63.42 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -1.177 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.18 -48.36 45.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 110.377 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -19.1 61.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.487 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 48.6 m-20 -85.61 170.43 12.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.301 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.449 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 5.2 m -98.69 1.4 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.357 -0.839 . . . . 0.0 110.709 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.4 -19.31 11.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.085 -1.01 . . . . 0.0 110.612 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.451 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -100.84 48.36 0.9 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.024 . . . . 0.0 110.226 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -81.43 -40.63 23.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.31 -0.869 . . . . 0.0 109.717 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -82.72 -22.75 34.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -24.57 36.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.391 -0.818 . . . . 0.0 110.243 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -69.95 -80.44 0.05 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.155 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.3 t -88.48 -27.71 21.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.284 -1.127 . . . . 0.0 110.382 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -52.31 -31.29 32.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -0.955 . . . . 0.0 110.409 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -24.18 2.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.538 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.45 -169.85 1.98 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.175 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -107.8 -35.42 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.72 -17.05 12.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 110.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -98.54 73.67 2.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.319 -0.863 . . . . 0.0 110.519 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.34 6.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.273 -0.892 . . . . 0.0 109.591 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' CYS . 94.9 m-85 -75.82 -155.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 109.819 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -37.82 90.29 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.591 -0.693 . . . . 0.0 110.979 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' TYR . 26.8 p -87.56 77.1 8.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.055 -1.028 . . . . 0.0 110.173 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.254 -0.904 . . . . 0.0 110.148 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 44.1 t -105.28 -72.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.186 -1.185 . . . . 0.0 110.501 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -49.51 -26.2 3.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.192 -0.942 . . . . 0.0 110.414 -179.774 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.46 2.64 35.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 110.498 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -104.94 -166.68 1.26 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -0.97 . . . . 0.0 110.336 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.68 -33.41 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.382 -0.824 . . . . 0.0 109.755 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -97.67 20.49 11.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.32 -0.863 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -147.41 64.74 1.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.586 -0.697 . . . . 0.0 109.363 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -100.92 -25.82 13.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.348 -0.845 . . . . 0.0 110.581 -179.169 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -90.86 -41.98 10.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.97 . . . . 0.0 111.073 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -54.93 -19.28 6.33 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 110.807 -179.338 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 13' ' ' ARG . 19.6 p -89.21 -138.71 0.12 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.017 -1.052 . . . . 0.0 110.591 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 1.2 mmt180 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.162 -0.961 . . . . 0.0 110.11 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.57 10.72 1.25 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.226 -1.161 . . . . 0.0 110.32 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.07 -17.09 55.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 0.0 110.385 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.35 18.69 3.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.26 -168.85 1.83 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 0.0 109.963 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.425 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 1.9 p -120.65 -28.26 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.996 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 1.11 34.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.276 -0.89 . . . . 0.0 109.991 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.34 -21.92 4.46 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -57.98 -29.1 64.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.277 -0.889 . . . . 0.0 110.637 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -50.84 -68.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.137 -0.977 . . . . 0.0 110.503 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -86.67 26.61 1.08 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.734 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 9' ' ' ARG . 1.5 p -90.11 16.65 8.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.101 -0.999 . . . . 0.0 110.097 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' CYS . 3.5 mtt85 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.297 -0.877 . . . . 0.0 110.289 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.22 -52.96 31.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.269 -1.136 . . . . 0.0 110.209 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.98 -32.92 9.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -19.06 65.72 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.439 -0.788 . . . . 0.0 110.389 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.4 163.08 13.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.319 -0.863 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -92.09 -8.74 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -94.22 -14.41 25.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.191 -0.943 . . . . 0.0 110.157 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -110.39 -16.21 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.845 . . . . 0.0 109.535 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' CYS . 3.0 ttt85 -34.21 -65.16 0.21 Allowed 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.535 0.683 . . . . 0.0 111.553 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' CE1' ' HD3' ' A' ' 9' ' ' ARG . 21.4 m-85 -65.95 -28.35 68.85 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.447 -0.783 . . . . 0.0 110.52 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -10.19 58.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.066 -1.022 . . . . 0.0 109.98 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 8' ' ' CYS . 11.5 t -87.02 89.43 7.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.427 -0.796 . . . . 0.0 110.151 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -107.19 -19.67 13.53 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.252 -1.146 . . . . 0.0 110.436 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.96 -25.43 52.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -9.49 28.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.0 109.763 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -120.1 176.45 5.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.943 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.0 22.98 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 110.37 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -117.39 -25.8 6.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.066 -1.021 . . . . 0.0 110.24 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -114.89 -2.46 12.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.15 -0.969 . . . . 0.0 110.097 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -44.45 -28.2 0.54 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.263 -0.898 . . . . 0.0 110.708 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ARG . 26.6 m-85 -41.34 -44.13 2.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.269 -0.894 . . . . 0.0 110.486 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.92 -18.13 44.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.038 -1.039 . . . . 0.0 110.176 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ARG . 3.4 t -87.08 75.31 9.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.133 -0.979 . . . . 0.0 110.056 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.15 -0.969 . . . . 0.0 110.065 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.448 ' CA ' ' HB3' ' A' ' 8' ' ' CYS . 1.2 m -56.42 -38.87 72.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -1.106 . . . . 0.0 110.009 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 4.3 m -58.54 -33.28 69.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.397 -0.815 . . . . 0.0 110.426 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -18.94 37.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 110.319 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.34 145.45 43.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.15 7.58 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 110.323 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 7' ' ' ARG . 2.6 ptm85 -128.64 -18.89 3.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.211 -0.931 . . . . 0.0 110.595 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HB3' ' CA ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -105.29 -2.05 24.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.129 -0.982 . . . . 0.0 110.29 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.542 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -54.46 -24.94 22.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.358 -0.839 . . . . 0.0 110.99 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.63 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.024 -1.047 . . . . 0.0 111.078 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.518 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 5.7 ptp180 -71.56 62.74 0.39 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.98 -1.075 . . . . 0.0 110.919 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 33.9 t -90.29 -17.43 27.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.124 -0.985 . . . . 0.0 109.786 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.835 . . . . 0.0 110.176 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 50.2 t -85.38 -38.25 18.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -1.114 . . . . 0.0 110.215 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 m -73.1 -16.92 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.236 -0.915 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -4.94 40.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 110.426 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -116.33 160.48 20.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.347 -0.845 . . . . 0.0 110.218 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.511 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 9.8 p -90.12 -9.5 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 0.0 110.118 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -102.41 -34.16 9.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.888 . . . . 0.0 110.685 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.6 t -82.91 -20.07 36.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.055 -1.028 . . . . 0.0 109.839 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.511 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -47.95 -20.99 0.37 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.479 -0.763 . . . . 0.0 110.856 179.633 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ARG . 6.7 m-85 -39.48 -86.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 0.0 111.313 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -71.75 0.66 8.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.183 -0.948 . . . . 0.0 111.211 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 5.3 t -85.38 51.05 2.08 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.067 -1.021 . . . . 0.0 110.617 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.239 -0.913 . . . . 0.0 110.342 179.551 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -152.67 -39.02 0.1 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -1.109 . . . . 0.0 110.237 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.68 -47.01 20.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.91 . . . . 0.0 110.32 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.13 31.56 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.345 -0.847 . . . . 0.0 110.55 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 6.5 m-20 -50.75 167.08 0.07 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 110.202 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -101.78 -1.99 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.244 -0.91 . . . . 0.0 110.178 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -119.16 -27.85 5.59 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.353 -0.842 . . . . 0.0 109.507 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.36 19.51 9.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.448 -0.782 . . . . 0.0 110.591 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -59.45 -10.84 3.62 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.171 -0.956 . . . . 0.0 111.287 -179.594 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 77.4 m-85 -64.48 -165.33 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.102 . . . . 0.0 110.9 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -39.03 105.12 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.498 -0.751 . . . . 0.0 111.431 -179.425 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.9 m -91.43 74.66 6.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.118 -0.989 . . . . 0.0 110.671 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 N--CA 1.494 1.765 0 O-C-N 120.871 -1.143 . . . . 0.0 110.511 179.679 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.486 ' HA ' ' OD1' ' A' ' 5' ' ' ASP . 0.5 OUTLIER 46.32 20.12 0.08 Allowed 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.223 -1.163 . . . . 0.0 110.639 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 1' ' ' GLY . 37.0 m -91.83 -53.04 4.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.119 -0.988 . . . . 0.0 110.263 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -8.59 12.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.58 -0.7 . . . . 0.0 110.939 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.486 ' OD1' ' HA ' ' A' ' 2' ' ' CYS . 3.3 m-20 -84.72 168.77 14.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.1 -1.0 . . . . 0.0 110.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 10.9 p -114.07 -11.99 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 110.108 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -103.37 -12.81 16.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 2' ' ' CYS . 42.3 t -129.01 42.71 3.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.463 -0.773 . . . . 0.0 110.59 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -97.66 -10.82 24.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.9 -1.125 . . . . 0.0 110.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -58.33 -50.4 73.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 110.127 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -67.98 -34.09 75.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.378 -0.826 . . . . 0.0 109.956 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 t -62.66 83.78 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.257 -0.902 . . . . 0.0 109.967 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' ARG . 11.7 mtm180 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 110.22 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -117.22 -1.13 11.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -1.162 . . . . 0.0 110.225 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.3 -48.24 17.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.247 -0.908 . . . . 0.0 110.104 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -55.86 4.17 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 110.406 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -53.04 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.24 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 t -120.94 7.61 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 110.244 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -123.47 -21.29 5.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.192 -0.943 . . . . 0.0 110.508 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 11.6 t -107.24 12.24 28.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.19 -0.944 . . . . 0.0 110.127 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -27.07 48.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.65 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -51.74 -56.9 11.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.209 -0.932 . . . . 0.0 110.751 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -85.04 21.97 1.52 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 44.5 t -90.75 30.16 1.22 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.023 -1.048 . . . . 0.0 110.526 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.194 -0.941 . . . . 0.0 110.174 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 24.92 0.73 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.192 -1.181 . . . . 0.0 110.272 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.57 -15.17 38.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.172 -0.955 . . . . 0.0 109.615 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 12.99 16.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 110.067 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.461 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 42.6 m-20 -124.69 114.35 19.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 12.5 m -56.11 -28.88 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.434 -0.791 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -9.57 55.81 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.143 -0.973 . . . . 0.0 110.478 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 5' ' ' ASP . 3.8 t -117.99 35.12 4.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.244 -0.91 . . . . 0.0 110.897 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.19 8.21 22.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.05 -1.031 . . . . 0.0 110.379 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -75.78 -32.41 59.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.159 -0.963 . . . . 0.0 110.17 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.1 -55.93 4.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.264 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -76.51 64.35 2.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.307 -0.871 . . . . 0.0 110.462 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.249 -0.907 . . . . 0.0 110.212 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -46.72 -50.23 18.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -1.192 . . . . 0.0 110.303 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -49.17 -28.11 4.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.146 -0.971 . . . . 0.0 110.508 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -37.69 32.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 110.132 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -53.17 160.6 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.032 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.47 -27.28 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.171 -0.955 . . . . 0.0 110.151 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 3.8 mtt180 -88.53 -29.17 20.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.289 -0.882 . . . . 0.0 110.146 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -94.07 67.36 3.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 109.488 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -94.95 -32.04 13.37 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.411 -0.806 . . . . 0.0 110.449 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 39.8 m-85 -90.24 -96.18 0.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.785 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -63.55 85.31 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.078 -1.014 . . . . 0.0 110.123 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 2' ' ' CYS . 1.3 m -61.63 -44.36 97.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.162 -0.962 . . . . 0.0 110.062 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.44 -0.787 . . . . 0.0 110.165 179.776 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.464 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.258 0.552 . . . . 0.0 110.458 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -11.99 48.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.26 -0.9 . . . . 0.0 110.658 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -11.78 60.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.856 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -109.32 8.48 25.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.061 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.556 ' O ' HG12 ' A' ' 6' ' ' VAL . 34.3 t 52.35 16.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -123.58 -20.86 5.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.994 -1.066 . . . . 0.0 109.954 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 1.9 t -100.64 78.7 2.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.493 -0.754 . . . . 0.0 109.322 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.429 ' CD ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -93.84 -38.37 11.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.392 -0.817 . . . . 0.0 110.161 -179.428 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.9 m-30 -53.67 -70.77 0.09 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.683 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 0.0 110.695 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.345 0.593 . . . . 0.0 110.129 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -84.47 -47.52 10.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.902 . . . . 0.0 110.032 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -42.77 -28.25 0.23 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 0.0 110.362 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.96 -154.66 0.44 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.256 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 6' ' ' VAL . 14.9 p -135.64 1.44 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 110.504 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -96.17 -23.38 16.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.184 -0.947 . . . . 0.0 110.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 11' ' ' ARG . 40.5 t -132.45 53.78 1.99 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.369 -0.832 . . . . 0.0 109.72 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.535 ' HG2' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.85 -19.3 24.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.497 -179.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 11.8 m-85 -78.75 -12.98 60.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 110.331 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.484 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 110.232 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.308 0.575 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.86 -30.26 14.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -43.62 38.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.389 -0.82 . . . . 0.0 110.102 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -79.78 153.38 29.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.2 m -80.64 2.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.208 -0.933 . . . . 0.0 110.151 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -110.84 -32.83 6.71 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -91.02 22.05 3.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.171 -0.956 . . . . 0.0 110.095 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.07 1.59 15.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 110.412 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.69 -78.03 0.37 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.145 -0.972 . . . . 0.0 110.275 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.22 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.401 0.62 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 22.4 m -65.74 -35.25 80.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.855 . . . . 0.0 109.437 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -38.84 54.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.488 -0.757 . . . . 0.0 109.98 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.32 -176.41 3.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.522 -0.736 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.5 p -116.43 20.17 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -125.6 -36.42 2.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.187 -0.946 . . . . 0.0 109.9 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -97.99 6.15 47.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.139 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -66.31 -8.38 24.76 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.417 -0.802 . . . . 0.0 110.9 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -86.2 -59.17 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.212 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 110.663 -179.832 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.184 0.516 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.0 m -67.15 -28.29 68.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.353 -0.842 . . . . 0.0 109.98 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -9.4 58.59 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.878 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -103.69 170.57 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.379 -0.826 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.36 -28.72 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -84.52 -20.68 31.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.357 -0.839 . . . . 0.0 110.23 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.95 1.82 37.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.859 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.518 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.29 -24.62 3.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.94 . . . . 0.0 110.265 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CE1' ' HD2' ' A' ' 9' ' ' ARG . 79.6 m-85 -70.47 -95.98 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 110.025 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.355 0.598 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.04 -26.7 4.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.219 -0.926 . . . . 0.0 110.593 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.76 25.55 2.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 110.471 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.05 157.61 37.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 110.208 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 21.2 t -76.34 -43.21 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.076 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.508 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.937 . . . . 0.0 109.768 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -108.8 76.82 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.438 -0.789 . . . . 0.0 109.698 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -99.93 -43.09 6.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.263 -0.898 . . . . 0.0 109.985 -179.471 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.24 -98.99 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 120.988 -1.07 . . . . 0.0 110.151 -179.869 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.485 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.15 0.5 . . . . 0.0 110.522 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' CYS . 5.8 m -36.75 -41.56 0.33 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.599 -0.688 . . . . 0.0 111.209 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -30.65 41.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.143 -0.973 . . . . 0.0 110.026 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 2' ' ' CYS . 17.4 m-20 -88.31 172.09 9.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 0.0 109.761 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.586 HG13 ' HG3' ' A' ' 7' ' ' ARG . 8.8 p -95.03 -25.46 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.065 -1.022 . . . . 0.0 110.195 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.586 ' HG3' HG13 ' A' ' 6' ' ' VAL . 47.5 mtm180 -89.15 -2.56 58.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.34 -0.85 . . . . 0.0 110.753 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.485 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -102.44 -24.13 13.86 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.042 -1.036 . . . . 0.0 109.702 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -39.06 -28.05 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.578 -0.701 . . . . 0.0 110.678 -179.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 8' ' ' CYS . 11.0 m-85 -67.63 -83.64 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.0 110.016 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.834 . . . . 0.0 110.222 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.451 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.278 0.561 . . . . 0.0 110.341 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.18 -48.36 45.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 110.377 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -19.1 61.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.487 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 48.6 m-20 -85.61 170.43 12.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.301 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.449 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 5.2 m -98.69 1.4 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.357 -0.839 . . . . 0.0 110.709 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.4 -19.31 11.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.085 -1.01 . . . . 0.0 110.612 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.451 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -100.84 48.36 0.9 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.024 . . . . 0.0 110.226 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -81.43 -40.63 23.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.31 -0.869 . . . . 0.0 109.717 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -82.72 -22.75 34.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.391 -0.818 . . . . 0.0 110.243 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.357 0.598 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.31 -31.29 32.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -0.955 . . . . 0.0 110.409 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -24.18 2.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.538 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.45 -169.85 1.98 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.175 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -107.8 -35.42 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.72 -17.05 12.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 110.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.54 73.67 2.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.319 -0.863 . . . . 0.0 110.519 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.34 6.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.273 -0.892 . . . . 0.0 109.591 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 94.9 m-85 -75.82 -155.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 109.819 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 O-C-N 121.591 -0.693 . . . . 0.0 110.979 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 44.1 t . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.229 0.538 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.51 -26.2 3.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.192 -0.942 . . . . 0.0 110.414 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.46 2.64 35.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 110.498 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -104.94 -166.68 1.26 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -0.97 . . . . 0.0 110.336 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.68 -33.41 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.382 -0.824 . . . . 0.0 109.755 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -97.67 20.49 11.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.32 -0.863 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -147.41 64.74 1.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.586 -0.697 . . . . 0.0 109.363 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' CD ' ' H ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -100.92 -25.82 13.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.348 -0.845 . . . . 0.0 110.581 -179.169 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -90.86 -41.98 10.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.97 . . . . 0.0 111.073 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 110.807 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.166 0.508 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.07 -17.09 55.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 0.0 110.385 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.35 18.69 3.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.26 -168.85 1.83 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 0.0 109.963 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.425 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 1.9 p -120.65 -28.26 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.996 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 1.11 34.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.276 -0.89 . . . . 0.0 109.991 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.34 -21.92 4.46 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -57.98 -29.1 64.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.277 -0.889 . . . . 0.0 110.637 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -50.84 -68.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.137 -0.977 . . . . 0.0 110.503 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.734 -179.423 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.148 0.499 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.98 -32.92 9.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -19.06 65.72 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.439 -0.788 . . . . 0.0 110.389 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.4 163.08 13.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.319 -0.863 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -92.09 -8.74 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -94.22 -14.41 25.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.191 -0.943 . . . . 0.0 110.157 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -110.39 -16.21 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.845 . . . . 0.0 109.535 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' CYS . 3.0 ttt85 -34.21 -65.16 0.21 Allowed 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.535 0.683 . . . . 0.0 111.553 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' CE1' ' HD3' ' A' ' 9' ' ' ARG . 21.4 m-85 -65.95 -28.35 68.85 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.447 -0.783 . . . . 0.0 110.52 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.066 -1.022 . . . . 0.0 109.98 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.148 0.499 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.96 -25.43 52.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -9.49 28.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.0 109.763 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -120.1 176.45 5.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.943 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.0 22.98 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 110.37 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -117.39 -25.8 6.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.066 -1.021 . . . . 0.0 110.24 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -114.89 -2.46 12.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.15 -0.969 . . . . 0.0 110.097 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -44.45 -28.2 0.54 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.263 -0.898 . . . . 0.0 110.708 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ARG . 26.6 m-85 -41.34 -44.13 2.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.269 -0.894 . . . . 0.0 110.486 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.038 -1.039 . . . . 0.0 110.176 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.448 ' CA ' ' HB3' ' A' ' 8' ' ' CYS . 1.2 m . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.296 0.57 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -58.54 -33.28 69.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.397 -0.815 . . . . 0.0 110.426 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -18.94 37.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 110.319 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.34 145.45 43.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.15 7.58 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 110.323 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 7' ' ' ARG . 2.6 ptm85 -128.64 -18.89 3.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.211 -0.931 . . . . 0.0 110.595 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HB3' ' CA ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -105.29 -2.05 24.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.129 -0.982 . . . . 0.0 110.29 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.542 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -54.46 -24.94 22.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.358 -0.839 . . . . 0.0 110.99 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.63 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.024 -1.047 . . . . 0.0 111.078 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 5.7 ptp180 . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.98 -1.075 . . . . 0.0 110.919 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 50.2 t . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.223 0.535 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 m -73.1 -16.92 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.236 -0.915 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -4.94 40.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 110.426 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -116.33 160.48 20.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.347 -0.845 . . . . 0.0 110.218 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.511 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 9.8 p -90.12 -9.5 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 0.0 110.118 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -102.41 -34.16 9.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.888 . . . . 0.0 110.685 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.6 t -82.91 -20.07 36.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.055 -1.028 . . . . 0.0 109.839 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.511 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -47.95 -20.99 0.37 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.479 -0.763 . . . . 0.0 110.856 179.633 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ARG . 6.7 m-85 -39.48 -86.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 0.0 111.313 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 . . . . . 0 N--CA 1.494 1.742 0 O-C-N 121.183 -0.948 . . . . 0.0 111.211 -179.029 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.267 0.556 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.68 -47.01 20.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.91 . . . . 0.0 110.32 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.13 31.56 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.345 -0.847 . . . . 0.0 110.55 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 6.5 m-20 -50.75 167.08 0.07 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 110.202 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -101.78 -1.99 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.244 -0.91 . . . . 0.0 110.178 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -119.16 -27.85 5.59 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.353 -0.842 . . . . 0.0 109.507 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.36 19.51 9.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.448 -0.782 . . . . 0.0 110.591 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -59.45 -10.84 3.62 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.171 -0.956 . . . . 0.0 111.287 -179.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 77.4 m-85 -64.48 -165.33 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.102 . . . . 0.0 110.9 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.968 0 O-C-N 121.498 -0.751 . . . . 0.0 111.431 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.486 ' HA ' ' OD1' ' A' ' 5' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.204 0.526 . . . . 0.0 110.639 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.0 m -91.83 -53.04 4.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.119 -0.988 . . . . 0.0 110.263 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -8.59 12.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.58 -0.7 . . . . 0.0 110.939 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.486 ' OD1' ' HA ' ' A' ' 2' ' ' CYS . 3.3 m-20 -84.72 168.77 14.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.1 -1.0 . . . . 0.0 110.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 10.9 p -114.07 -11.99 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 110.108 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -103.37 -12.81 16.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 2' ' ' CYS . 42.3 t -129.01 42.71 3.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.463 -0.773 . . . . 0.0 110.59 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.52 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -97.66 -10.82 24.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.9 -1.125 . . . . 0.0 110.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -58.33 -50.4 73.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 110.127 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.378 -0.826 . . . . 0.0 109.956 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.283 0.563 . . . . 0.0 110.225 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.3 -48.24 17.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.247 -0.908 . . . . 0.0 110.104 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -55.86 4.17 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 110.406 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -53.04 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.24 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 t -120.94 7.61 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 110.244 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -123.47 -21.29 5.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.192 -0.943 . . . . 0.0 110.508 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 11.6 t -107.24 12.24 28.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.19 -0.944 . . . . 0.0 110.127 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -27.07 48.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.65 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -51.74 -56.9 11.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.209 -0.932 . . . . 0.0 110.751 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -179.721 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.294 0.569 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.57 -15.17 38.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.172 -0.955 . . . . 0.0 109.615 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 12.99 16.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 110.067 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.461 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 42.6 m-20 -124.69 114.35 19.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 12.5 m -56.11 -28.88 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.434 -0.791 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -9.57 55.81 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.143 -0.973 . . . . 0.0 110.478 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 5' ' ' ASP . 3.8 t -117.99 35.12 4.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.244 -0.91 . . . . 0.0 110.897 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.19 8.21 22.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.05 -1.031 . . . . 0.0 110.379 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -75.78 -32.41 59.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.159 -0.963 . . . . 0.0 110.17 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.264 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.215 0.531 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -49.17 -28.11 4.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.146 -0.971 . . . . 0.0 110.508 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -37.69 32.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 110.132 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -53.17 160.6 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.032 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.47 -27.28 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.171 -0.955 . . . . 0.0 110.151 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 3.8 mtt180 -88.53 -29.17 20.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.289 -0.882 . . . . 0.0 110.146 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -94.07 67.36 3.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 109.488 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -94.95 -32.04 13.37 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.411 -0.806 . . . . 0.0 110.449 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 39.8 m-85 -90.24 -96.18 0.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.785 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.078 -1.014 . . . . 0.0 110.123 -179.727 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.464 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -112.69 -45.04 3.25 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.208 -1.172 . . . . 0.0 110.458 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.52 -11.99 48.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.26 -0.9 . . . . 0.0 110.658 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -11.78 60.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.303 -0.873 . . . . 0.0 110.856 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -109.32 8.48 25.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.002 -1.061 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.556 ' O ' HG12 ' A' ' 6' ' ' VAL . 34.3 t 52.35 16.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -123.58 -20.86 5.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.994 -1.066 . . . . 0.0 109.954 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 1.9 t -100.64 78.7 2.01 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.493 -0.754 . . . . 0.0 109.322 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -93.84 -38.37 11.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.392 -0.817 . . . . 0.0 110.161 -179.428 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.9 m-30 -53.67 -70.77 0.09 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.683 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -25.23 62.1 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.229 -0.919 . . . . 0.0 110.695 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 26.2 t -53.21 -46.68 69.16 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.152 -0.967 . . . . 0.0 110.215 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 4.7 mtt180 . . . . . 0 C--N 1.3 -1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 110.111 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -66.91 -31.74 72.54 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.094 -1.239 . . . . 0.0 110.129 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -84.47 -47.52 10.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.256 -0.902 . . . . 0.0 110.032 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -42.77 -28.25 0.23 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 0.0 110.362 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -95.96 -154.66 0.44 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.204 -0.935 . . . . 0.0 110.256 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 6' ' ' VAL . 14.9 p -135.64 1.44 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.196 -0.94 . . . . 0.0 110.504 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -96.17 -23.38 16.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.184 -0.947 . . . . 0.0 110.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 11' ' ' ARG . 40.5 t -132.45 53.78 1.99 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.369 -0.832 . . . . 0.0 109.72 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.535 ' HG2' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.85 -19.3 24.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.43 -0.794 . . . . 0.0 110.497 -179.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 11.8 m-85 -78.75 -12.98 60.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 110.331 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.484 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -78.74 -63.13 1.48 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 110.232 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -39.3 -86.1 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.434 -0.791 . . . . 0.0 110.711 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 . . . . . 0 N--CA 1.493 1.677 0 O-C-N 120.944 -1.098 . . . . 0.0 110.18 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -106.44 -32.72 7.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.295 -1.121 . . . . 0.0 110.005 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 3.7 m -50.86 -30.26 14.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.81 -43.62 38.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.389 -0.82 . . . . 0.0 110.102 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -79.78 153.38 29.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.33 -0.856 . . . . 0.0 110.002 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.2 m -80.64 2.57 2.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.208 -0.933 . . . . 0.0 110.151 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -110.84 -32.83 6.71 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.243 -0.911 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -91.02 22.05 3.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.171 -0.956 . . . . 0.0 110.095 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.428 ' C ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.07 1.59 15.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 110.412 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.69 -78.03 0.37 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.145 -0.972 . . . . 0.0 110.275 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -88.82 79.76 7.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.22 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 9.0 m -86.4 -82.16 0.2 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.277 -0.889 . . . . 0.0 110.374 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.208 -0.933 . . . . 0.0 110.234 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.93 -43.21 0.73 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.254 -1.145 . . . . 0.0 109.564 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' ARG . 22.4 m -65.74 -35.25 80.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.855 . . . . 0.0 109.437 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -38.84 54.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.488 -0.757 . . . . 0.0 109.98 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -75.32 -176.41 3.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.522 -0.736 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.5 p -116.43 20.17 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.343 -0.848 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ttp85 -125.6 -36.42 2.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.187 -0.946 . . . . 0.0 109.9 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -97.99 6.15 47.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.287 -0.883 . . . . 0.0 110.139 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -66.31 -8.38 24.76 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.417 -0.802 . . . . 0.0 110.9 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -86.2 -59.17 2.37 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.212 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -58.85 -39.16 80.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 110.663 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 4.1 p -87.14 30.19 0.79 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.215 -0.928 . . . . 0.0 110.648 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 9' ' ' ARG . 5.6 mtp180 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.257 -0.902 . . . . 0.0 110.294 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 m -83.43 -20.65 33.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -1.192 . . . . 0.0 110.147 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 32.0 m -67.15 -28.29 68.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.353 -0.842 . . . . 0.0 109.98 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.07 -9.4 58.59 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.878 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -103.69 170.57 7.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.379 -0.826 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.36 -28.72 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -84.52 -20.68 31.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.357 -0.839 . . . . 0.0 110.23 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.95 1.82 37.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.325 -0.859 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.518 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -50.29 -24.62 3.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.195 -0.94 . . . . 0.0 110.265 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CE1' ' HD2' ' A' ' 9' ' ' ARG . 79.6 m-85 -70.47 -95.98 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.232 -0.917 . . . . 0.0 110.262 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -67.44 90.48 0.24 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.97 -1.081 . . . . 0.0 110.025 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -89.59 89.98 8.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.192 -0.943 . . . . 0.0 110.34 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.335 -0.853 . . . . 0.0 110.158 179.859 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -166.66 -42.08 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.324 -1.103 . . . . 0.0 110.459 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.04 -26.7 4.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.219 -0.926 . . . . 0.0 110.593 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.76 25.55 2.32 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.093 -1.004 . . . . 0.0 110.471 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.05 157.61 37.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.157 -0.964 . . . . 0.0 110.208 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 21.2 t -76.34 -43.21 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.076 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.508 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -72.16 -24.14 61.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.937 . . . . 0.0 109.768 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -108.8 76.82 1.03 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.438 -0.789 . . . . 0.0 109.698 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -99.93 -43.09 6.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.263 -0.898 . . . . 0.0 109.985 -179.471 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -83.24 -98.99 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 110.258 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -56.32 101.43 0.06 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.988 -1.07 . . . . 0.0 110.151 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 2' ' ' CYS . 89.6 m -90.36 88.62 7.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.242 -0.911 . . . . 0.0 110.258 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 110.262 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.485 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -116.34 -66.36 1.09 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.153 -1.204 . . . . 0.0 110.522 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' CYS . 5.8 m -36.75 -41.56 0.33 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.599 -0.688 . . . . 0.0 111.209 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -30.65 41.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.143 -0.973 . . . . 0.0 110.026 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 2' ' ' CYS . 17.4 m-20 -88.31 172.09 9.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.368 -0.833 . . . . 0.0 109.761 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.586 HG13 ' HG3' ' A' ' 7' ' ' ARG . 8.8 p -95.03 -25.46 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.065 -1.022 . . . . 0.0 110.195 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' HG3' HG13 ' A' ' 6' ' ' VAL . 47.5 mtm180 -89.15 -2.56 58.57 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.34 -0.85 . . . . 0.0 110.753 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.485 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -102.44 -24.13 13.86 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.042 -1.036 . . . . 0.0 109.702 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -39.06 -28.05 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.578 -0.701 . . . . 0.0 110.678 -179.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 8' ' ' CYS . 11.0 m-85 -67.63 -83.64 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.0 110.016 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -90.27 64.34 6.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.834 . . . . 0.0 110.222 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 1.1 m -60.84 82.36 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.274 -0.891 . . . . 0.0 110.621 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' ARG . 2.3 ptp85 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.249 -0.907 . . . . 0.0 110.303 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.451 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -159.79 -63.42 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.199 -1.177 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.18 -48.36 45.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.358 -0.839 . . . . 0.0 110.377 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -19.1 61.01 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.487 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 48.6 m-20 -85.61 170.43 12.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.301 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.449 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 5.2 m -98.69 1.4 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.357 -0.839 . . . . 0.0 110.709 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.4 -19.31 11.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.085 -1.01 . . . . 0.0 110.612 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.451 ' HB3' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -100.84 48.36 0.9 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.024 . . . . 0.0 110.226 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -81.43 -40.63 23.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.31 -0.869 . . . . 0.0 109.717 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -82.72 -22.75 34.35 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.884 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -24.57 36.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.391 -0.818 . . . . 0.0 110.243 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -69.95 -80.44 0.05 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.279 -0.888 . . . . 0.0 110.155 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.3 t -88.48 -27.71 21.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.284 -1.127 . . . . 0.0 110.382 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -52.31 -31.29 32.44 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.172 -0.955 . . . . 0.0 110.409 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -24.18 2.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.538 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.45 -169.85 1.98 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.0 110.175 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -107.8 -35.42 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.183 -0.948 . . . . 0.0 110.089 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -57.72 -17.05 12.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 110.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -98.54 73.67 2.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.319 -0.863 . . . . 0.0 110.519 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.34 6.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.273 -0.892 . . . . 0.0 109.591 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' CYS . 94.9 m-85 -75.82 -155.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 109.819 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -37.82 90.29 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.591 -0.693 . . . . 0.0 110.979 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' TYR . 26.8 p -87.56 77.1 8.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.055 -1.028 . . . . 0.0 110.173 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.254 -0.904 . . . . 0.0 110.148 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 11' ' ' ARG . 44.1 t -105.28 -72.19 0.72 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.186 -1.185 . . . . 0.0 110.501 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -49.51 -26.2 3.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.192 -0.942 . . . . 0.0 110.414 -179.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.46 2.64 35.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 0.0 110.498 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -104.94 -166.68 1.26 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.148 -0.97 . . . . 0.0 110.336 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.68 -33.41 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.382 -0.824 . . . . 0.0 109.755 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -97.67 20.49 11.81 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.32 -0.863 . . . . 0.0 109.782 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -147.41 64.74 1.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.586 -0.697 . . . . 0.0 109.363 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -100.92 -25.82 13.95 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.348 -0.845 . . . . 0.0 110.581 -179.169 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -90.86 -41.98 10.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.147 -0.97 . . . . 0.0 111.073 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -54.93 -19.28 6.33 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.149 -0.969 . . . . 0.0 110.807 -179.338 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' SG ' ' N ' ' A' ' 13' ' ' ARG . 19.6 p -89.21 -138.71 0.12 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.017 -1.052 . . . . 0.0 110.591 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 1.2 mmt180 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.162 -0.961 . . . . 0.0 110.11 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.57 10.72 1.25 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.226 -1.161 . . . . 0.0 110.32 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.2 m -79.07 -17.09 55.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 0.0 110.385 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.35 18.69 3.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.26 -168.85 1.83 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.319 -0.863 . . . . 0.0 109.963 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.425 ' HA ' ' HG2' ' A' ' 9' ' ' ARG . 1.9 p -120.65 -28.26 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.149 -0.969 . . . . 0.0 109.996 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 1.11 34.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.276 -0.89 . . . . 0.0 109.991 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.1 t -125.34 -21.92 4.46 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.351 -0.843 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -57.98 -29.1 64.97 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.277 -0.889 . . . . 0.0 110.637 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -50.84 -68.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.137 -0.977 . . . . 0.0 110.503 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -86.67 26.61 1.08 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.33 -0.856 . . . . 0.0 110.734 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 9' ' ' ARG . 1.5 p -90.11 16.65 8.06 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.101 -0.999 . . . . 0.0 110.097 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' CYS . 3.5 mtt85 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.297 -0.877 . . . . 0.0 110.289 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.22 -52.96 31.55 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.269 -1.136 . . . . 0.0 110.209 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.98 -32.92 9.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.231 -0.918 . . . . 0.0 109.947 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -19.06 65.72 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.439 -0.788 . . . . 0.0 110.389 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.4 163.08 13.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.319 -0.863 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -92.09 -8.74 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -94.22 -14.41 25.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.191 -0.943 . . . . 0.0 110.157 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -110.39 -16.21 13.76 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.347 -0.845 . . . . 0.0 109.535 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' CYS . 3.0 ttt85 -34.21 -65.16 0.21 Allowed 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 121.535 0.683 . . . . 0.0 111.553 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' CE1' ' HD3' ' A' ' 9' ' ' ARG . 21.4 m-85 -65.95 -28.35 68.85 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.447 -0.783 . . . . 0.0 110.52 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -10.19 58.24 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.066 -1.022 . . . . 0.0 109.98 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 8' ' ' CYS . 11.5 t -87.02 89.43 7.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.427 -0.796 . . . . 0.0 110.151 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -107.19 -19.67 13.53 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.252 -1.146 . . . . 0.0 110.436 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 m -76.96 -25.43 52.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 0.0 110.12 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -9.49 28.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.0 109.763 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -120.1 176.45 5.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.405 -0.809 . . . . 0.0 109.943 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.0 22.98 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.132 -0.98 . . . . 0.0 110.37 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -117.39 -25.8 6.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.066 -1.021 . . . . 0.0 110.24 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 p -114.89 -2.46 12.9 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.15 -0.969 . . . . 0.0 110.097 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -44.45 -28.2 0.54 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.263 -0.898 . . . . 0.0 110.708 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ARG . 26.6 m-85 -41.34 -44.13 2.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.269 -0.894 . . . . 0.0 110.486 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.92 -18.13 44.71 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.038 -1.039 . . . . 0.0 110.176 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' ARG . 3.4 t -87.08 75.31 9.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.133 -0.979 . . . . 0.0 110.056 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.15 -0.969 . . . . 0.0 110.065 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.448 ' CA ' ' HB3' ' A' ' 8' ' ' CYS . 1.2 m -56.42 -38.87 72.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -1.106 . . . . 0.0 110.009 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 4.3 m -58.54 -33.28 69.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.397 -0.815 . . . . 0.0 110.426 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.37 -18.94 37.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 0.0 110.319 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -74.34 145.45 43.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.264 -0.897 . . . . 0.0 110.102 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.1 m -82.15 7.58 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.863 . . . . 0.0 110.323 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 7' ' ' ARG . 2.6 ptm85 -128.64 -18.89 3.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.211 -0.931 . . . . 0.0 110.595 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HB3' ' CA ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -105.29 -2.05 24.47 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.129 -0.982 . . . . 0.0 110.29 -179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.542 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -54.46 -24.94 22.32 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.358 -0.839 . . . . 0.0 110.99 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -61.63 -98.29 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.024 -1.047 . . . . 0.0 111.078 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 11' ' ' ARG . 5.7 ptp180 -71.56 62.74 0.39 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.98 -1.075 . . . . 0.0 110.919 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 33.9 t -90.29 -17.43 27.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.124 -0.985 . . . . 0.0 109.786 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.365 -0.835 . . . . 0.0 110.176 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 8' ' ' CYS . 50.2 t -85.38 -38.25 18.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -1.114 . . . . 0.0 110.215 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 m -73.1 -16.92 61.45 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.236 -0.915 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -4.94 40.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 110.426 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -116.33 160.48 20.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.347 -0.845 . . . . 0.0 110.218 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.511 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 9.8 p -90.12 -9.5 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.337 -0.852 . . . . 0.0 110.118 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.2 mtm-85 -102.41 -34.16 9.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.888 . . . . 0.0 110.685 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 11.6 t -82.91 -20.07 36.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.055 -1.028 . . . . 0.0 109.839 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.511 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -47.95 -20.99 0.37 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.479 -0.763 . . . . 0.0 110.856 179.633 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ARG . 6.7 m-85 -39.48 -86.5 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.329 -0.857 . . . . 0.0 111.313 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -71.75 0.66 8.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.183 -0.948 . . . . 0.0 111.211 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 9' ' ' ARG . 5.3 t -85.38 51.05 2.08 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.067 -1.021 . . . . 0.0 110.617 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.239 -0.913 . . . . 0.0 110.342 179.551 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -152.67 -39.02 0.1 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -1.109 . . . . 0.0 110.237 -179.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.68 -47.01 20.41 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.245 -0.91 . . . . 0.0 110.32 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.13 31.56 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.345 -0.847 . . . . 0.0 110.55 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 6.5 m-20 -50.75 167.08 0.07 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.191 -0.943 . . . . 0.0 110.202 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -101.78 -1.99 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.244 -0.91 . . . . 0.0 110.178 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -119.16 -27.85 5.59 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.353 -0.842 . . . . 0.0 109.507 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 t -94.36 19.51 9.46 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.448 -0.782 . . . . 0.0 110.591 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -59.45 -10.84 3.62 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.171 -0.956 . . . . 0.0 111.287 -179.594 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 77.4 m-85 -64.48 -165.33 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.102 . . . . 0.0 110.9 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -39.03 105.12 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.498 -0.751 . . . . 0.0 111.431 -179.425 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.9 m -91.43 74.66 6.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.118 -0.989 . . . . 0.0 110.671 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 N--CA 1.494 1.765 0 O-C-N 120.871 -1.143 . . . . 0.0 110.511 179.679 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.486 ' HA ' ' OD1' ' A' ' 5' ' ' ASP . 0.5 OUTLIER 46.32 20.12 0.08 Allowed 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.223 -1.163 . . . . 0.0 110.639 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 1' ' ' GLY . 37.0 m -91.83 -53.04 4.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.119 -0.988 . . . . 0.0 110.263 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -8.59 12.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.58 -0.7 . . . . 0.0 110.939 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.486 ' OD1' ' HA ' ' A' ' 2' ' ' CYS . 3.3 m-20 -84.72 168.77 14.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.1 -1.0 . . . . 0.0 110.236 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.52 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 10.9 p -114.07 -11.99 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.182 -0.949 . . . . 0.0 110.108 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -103.37 -12.81 16.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.294 -0.879 . . . . 0.0 109.903 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 2' ' ' CYS . 42.3 t -129.01 42.71 3.27 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.463 -0.773 . . . . 0.0 110.59 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.52 ' NH1' ' O ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -97.66 -10.82 24.37 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.9 -1.125 . . . . 0.0 110.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -58.33 -50.4 73.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 110.127 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -67.98 -34.09 75.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.378 -0.826 . . . . 0.0 109.956 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 t -62.66 83.78 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.257 -0.902 . . . . 0.0 109.967 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 11' ' ' ARG . 11.7 mtm180 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.377 -0.827 . . . . 0.0 110.22 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -117.22 -1.13 11.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -1.162 . . . . 0.0 110.225 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -77.3 -48.24 17.94 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.247 -0.908 . . . . 0.0 110.104 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.75 -55.86 4.17 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 110.406 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -53.04 -178.16 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.226 -0.921 . . . . 0.0 110.24 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 t -120.94 7.61 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.307 -0.871 . . . . 0.0 110.244 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -123.47 -21.29 5.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.192 -0.943 . . . . 0.0 110.508 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 11.6 t -107.24 12.24 28.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.19 -0.944 . . . . 0.0 110.127 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -27.07 48.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.342 -0.849 . . . . 0.0 110.65 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -51.74 -56.9 11.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.209 -0.932 . . . . 0.0 110.751 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -85.04 21.97 1.52 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.212 -0.93 . . . . 0.0 110.699 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 44.5 t -90.75 30.16 1.22 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.023 -1.048 . . . . 0.0 110.526 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.194 -0.941 . . . . 0.0 110.174 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 24.92 0.73 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.192 -1.181 . . . . 0.0 110.272 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.57 -15.17 38.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.172 -0.955 . . . . 0.0 109.615 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.23 12.99 16.41 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.454 -0.779 . . . . 0.0 110.067 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.461 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 42.6 m-20 -124.69 114.35 19.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.356 -0.84 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 12.5 m -56.11 -28.88 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.434 -0.791 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.58 -9.57 55.81 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.143 -0.973 . . . . 0.0 110.478 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 5' ' ' ASP . 3.8 t -117.99 35.12 4.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.244 -0.91 . . . . 0.0 110.897 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -86.19 8.21 22.01 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.05 -1.031 . . . . 0.0 110.379 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -75.78 -32.41 59.89 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.159 -0.963 . . . . 0.0 110.17 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.1 -55.93 4.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.264 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.2 t -76.51 64.35 2.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.307 -0.871 . . . . 0.0 110.462 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.249 -0.907 . . . . 0.0 110.212 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -46.72 -50.23 18.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.174 -1.192 . . . . 0.0 110.303 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -49.17 -28.11 4.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.146 -0.971 . . . . 0.0 110.508 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -37.69 32.16 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.207 -0.933 . . . . 0.0 110.132 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -53.17 160.6 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.274 -0.891 . . . . 0.0 110.032 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -88.47 -27.28 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.171 -0.955 . . . . 0.0 110.151 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.461 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 3.8 mtt180 -88.53 -29.17 20.28 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.289 -0.882 . . . . 0.0 110.146 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -94.07 67.36 3.64 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.12 -0.987 . . . . 0.0 109.488 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -94.95 -32.04 13.37 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.411 -0.806 . . . . 0.0 110.449 -179.102 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 39.8 m-85 -90.24 -96.18 0.11 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.785 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -63.55 85.31 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.078 -1.014 . . . . 0.0 110.123 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 2' ' ' CYS . 1.3 m -61.63 -44.36 97.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.162 -0.962 . . . . 0.0 110.062 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 ptt-85 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.44 -0.787 . . . . 0.0 110.165 179.776 . . . . . . . . 0 0 . 1 stop_ save_