data_1fuv_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 1fuv _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.32 0.581 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -138.6 76.5 1.58 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.478 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.57 ' O ' ' O ' ' A' ' 4' ' ' CYS . 40.1 m-20 -137.45 -57.32 0.7 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.457 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.57 ' O ' ' O ' ' A' ' 3' ' ' ASP . 59.6 m -54.79 -116.02 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -155.19 -47.25 0.08 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.065 -1.647 . . . . 0.0 110.792 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.05 -3.6 6.84 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -110.96 -47.21 3.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -1.185 . . . . 0.0 109.648 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 58.2 m -90.83 56.07 3.13 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' ALA . 24.2 p90 -85.2 160.02 19.98 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.253 0.549 . . . . 0.0 111.133 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 1.0 OUTLIER -128.46 31.42 5.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.517 -0.74 . . . . 0.0 109.732 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.873 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.638 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.367 0.603 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.6 m -142.47 80.52 1.7 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.55 ' O ' ' O ' ' A' ' 4' ' ' CYS . 53.0 m-20 -136.7 -64.7 0.58 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.408 -1.317 . . . . 0.0 111.639 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.55 ' O ' ' O ' ' A' ' 3' ' ' ASP . 35.5 m -55.52 -112.75 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -152.99 -74.9 0.13 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.438 -1.414 . . . . 0.0 109.616 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.22 13.42 36.96 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -120.95 -40.23 2.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.23 -1.159 . . . . 0.0 109.444 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.8 m -99.71 32.17 2.95 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.638 ' O ' ' O ' ' A' ' 1' ' ' ALA . 17.8 p90 -49.0 170.48 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.08 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.9 m -86.79 -29.25 22.44 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.455 -0.778 . . . . 0.0 109.852 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 CA-C-O 118.027 -1.429 . . . . 0.0 109.537 179.74 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.115 0.483 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.44 83.5 1.87 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' O ' ' A' ' 4' ' ' CYS . 54.5 m-20 -128.08 -62.35 1.06 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 119.284 -0.967 . . . . 0.0 111.276 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.529 ' O ' ' O ' ' A' ' 3' ' ' ASP . 67.8 m -54.64 -109.56 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -153.51 -78.08 0.11 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.646 -1.284 . . . . 0.0 109.197 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -112.23 22.98 17.01 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -128.04 -45.68 1.4 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.319 -1.107 . . . . 0.0 110.09 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 1' ' ' ALA . 71.0 m -92.17 25.24 2.97 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -46.61 172.65 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.315 0.579 . . . . 0.0 111.639 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.68 -24.12 17.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.377 -0.827 . . . . 0.0 111.135 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.526 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.072 0.463 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.54 82.07 1.8 Allowed 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.544 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.2 m-20 -116.71 -67.67 0.98 Allowed 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.529 -0.868 . . . . 0.0 111.469 -178.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.544 ' O ' ' O ' ' A' ' 3' ' ' ASP . 60.4 m -49.16 -106.47 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -154.85 -87.7 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.696 -1.253 . . . . 0.0 109.067 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.91 28.87 13.97 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -134.23 -50.72 0.81 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.311 -1.111 . . . . 0.0 110.366 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' O ' ' A' ' 1' ' ' ALA . 73.4 m -87.58 28.68 0.96 Allowed 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' A' ' 1' ' ' ALA . 4.6 p90 -54.99 178.43 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.453 0.644 . . . . 0.0 111.847 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.9 m -98.15 -11.23 23.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.588 -0.695 . . . . 0.0 110.957 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.534 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.809 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.339 0.59 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 1.3 m -140.76 78.85 1.67 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 4' ' ' CYS . 57.8 m-20 -133.17 -64.63 0.73 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 119.091 -1.044 . . . . 0.0 111.296 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.534 ' O ' ' O ' ' A' ' 3' ' ' ASP . 39.2 m -52.76 -108.81 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -152.75 -77.24 0.12 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.364 -1.46 . . . . 0.0 110.097 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.44 11.38 39.46 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -119.51 -46.06 2.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -1.174 . . . . 0.0 109.678 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 75.2 m -90.47 49.5 1.69 Allowed 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -86.25 163.01 17.99 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.362 0.601 . . . . 0.0 111.476 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.6 m -98.7 -4.49 33.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.485 -0.76 . . . . 0.0 110.613 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 CA-C-O 117.962 -1.466 . . . . 0.0 109.526 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.257 0.551 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -142.17 82.22 1.78 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.59 ' O ' ' O ' ' A' ' 4' ' ' CYS . 17.8 m-20 -136.01 -62.61 0.67 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.797 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.59 ' O ' ' O ' ' A' ' 3' ' ' ASP . 66.4 m -52.65 -115.14 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.72 -45.36 0.09 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.225 -1.547 . . . . 0.0 110.368 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.27 2.64 4.3 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -113.36 -40.44 3.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.347 -1.09 . . . . 0.0 109.776 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' O ' ' O ' ' A' ' 1' ' ' ALA . 79.5 m -96.24 40.04 1.14 Allowed 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 12.4 p90 -69.09 170.31 10.23 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.88 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.7 m -104.22 -5.29 22.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.34 -0.85 . . . . 0.0 110.69 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 118.019 -1.434 . . . . 0.0 109.571 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.979 0.419 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -141.03 79.39 1.69 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.58 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.9 m-20 -134.51 -66.19 0.61 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.222 -0.924 . . . . 0.0 111.124 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.58 ' O ' ' O ' ' A' ' 3' ' ' ASP . 56.7 m -50.61 -110.11 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -153.55 -83.17 0.08 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.396 -1.44 . . . . 0.0 109.487 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.58 10.81 62.97 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.85 -51.79 2.24 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.12 -1.223 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' O ' ' O ' ' A' ' 1' ' ' ALA . 70.9 m -85.76 41.75 0.93 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 18.1 p90 -79.02 168.29 19.89 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.217 0.532 . . . . 0.0 111.324 -178.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.7 m -103.2 -7.48 21.18 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.331 -0.856 . . . . 0.0 110.588 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.472 0 CA-C-O 118.018 -1.435 . . . . 0.0 109.546 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.155 0.502 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.67 83.17 1.84 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.564 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.0 m-20 -133.83 -62.9 0.76 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.27 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.564 ' O ' ' O ' ' A' ' 3' ' ' ASP . 33.8 m -54.41 -112.84 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.19 -89.6 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.44 -1.413 . . . . 0.0 109.539 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.41 29.02 8.75 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -139.55 -49.79 0.49 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.393 -1.063 . . . . 0.0 110.0 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.483 ' O ' ' O ' ' A' ' 1' ' ' ALA . 90.2 m -90.31 33.51 0.89 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' A' ' 1' ' ' ALA . 18.8 p90 -56.71 161.95 2.55 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.297 0.57 . . . . 0.0 111.267 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 25.5 p -129.54 63.15 1.52 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.53 -0.732 . . . . 0.0 110.078 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 118.024 -1.431 . . . . 0.0 109.563 -179.871 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.219 0.533 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -140.42 78.63 1.66 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.597 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.8 m-20 -136.16 -70.49 0.47 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.083 -1.011 . . . . 0.0 111.27 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.597 ' O ' ' O ' ' A' ' 3' ' ' ASP . 39.9 m -49.93 -111.15 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -153.37 -85.28 0.07 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.384 -1.447 . . . . 0.0 109.606 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.78 12.99 66.93 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.331 -1.507 . . . . 0.0 109.331 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.432 ' C ' ' H ' ' A' ' 9' ' ' PHE . 19.9 m-20 -121.5 -56.24 1.89 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.194 -1.18 . . . . 0.0 109.955 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' O ' ' O ' ' A' ' 1' ' ' ALA . 76.7 m -82.84 37.32 0.53 Allowed 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' H ' ' C ' ' A' ' 7' ' ' ASP . 30.2 p90 -75.5 167.06 22.61 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.264 0.554 . . . . 0.0 110.975 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 3.4 p -144.64 66.42 1.26 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.458 -0.776 . . . . 0.0 110.011 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 118.002 -1.443 . . . . 0.0 109.535 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.137 0.494 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.63 82.98 1.84 Allowed 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 4' ' ' CYS . 23.2 m-20 -131.3 -63.41 0.85 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.23 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.536 ' O ' ' O ' ' A' ' 3' ' ' ASP . 40.0 m -53.63 -110.73 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -153.78 -85.26 0.06 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.448 -1.407 . . . . 0.0 109.464 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.48 21.01 47.37 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.82 -52.29 1.34 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.343 -1.092 . . . . 0.0 109.631 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.452 ' O ' ' O ' ' A' ' 1' ' ' ALA . 76.2 m -88.86 34.35 0.78 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -59.48 162.83 4.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.868 -0.52 . . . . 0.0 111.301 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 25.6 p -128.43 11.56 6.35 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.402 -0.811 . . . . 0.0 110.571 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.506 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.502 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.005 0.431 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.73 82.01 1.83 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.558 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -126.36 -64.15 1.05 Allowed 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.127 -178.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.558 ' O ' ' O ' ' A' ' 3' ' ' ASP . 60.2 m -51.51 -110.13 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -153.72 -82.56 0.08 Allowed 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.563 -1.335 . . . . 0.0 109.276 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.37 19.03 46.78 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -125.52 -49.56 1.65 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.225 -1.162 . . . . 0.0 109.774 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' O ' ' O ' ' A' ' 1' ' ' ALA . 71.8 m -90.21 32.15 0.95 Allowed 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -57.3 163.46 2.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.822 -0.549 . . . . 0.0 111.494 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 24.7 p -127.87 8.55 6.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.411 -0.805 . . . . 0.0 110.466 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 117.981 -1.455 . . . . 0.0 109.613 -179.743 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.202 0.525 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -140.93 78.97 1.67 Allowed 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.2 m-20 -134.96 -65.6 0.62 Allowed 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.049 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.571 ' O ' ' O ' ' A' ' 3' ' ' ASP . 49.4 m -51.34 -111.15 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -153.47 -77.9 0.11 Allowed 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.359 -1.463 . . . . 0.0 109.82 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.28 9.65 56.2 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -120.2 -49.31 2.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.119 -1.224 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 1' ' ' ALA . 82.3 m -86.36 48.95 1.7 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -83.0 165.01 20.01 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 121.114 0.483 . . . . 0.0 111.252 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.1 m -101.93 -20.96 14.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.324 -0.86 . . . . 0.0 110.66 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.878 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.436 0.636 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m -142.5 78.82 1.63 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' O ' ' A' ' 4' ' ' CYS . 61.1 m-20 -137.22 -63.12 0.6 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 118.368 -1.333 . . . . 0.0 111.705 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 3' ' ' ASP . 44.1 m -57.61 -112.81 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -152.93 -74.12 0.13 Allowed 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.415 -1.428 . . . . 0.0 109.321 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.84 16.77 25.6 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -121.44 -42.87 2.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.241 -1.152 . . . . 0.0 109.258 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.9 m -98.07 25.99 5.64 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -43.98 168.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.346 0.593 . . . . 0.0 111.727 -178.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.8 m -91.45 15.05 13.08 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.537 -0.727 . . . . 0.0 112.003 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.618 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.139 0.495 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 59.5 m -139.25 67.04 1.4 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.429 -0.794 . . . . 0.0 109.451 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 4' ' ' CYS . 5.5 m-20 -139.36 -48.46 0.48 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.094 -1.004 . . . . 0.0 110.407 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.544 ' H ' ' HB2' ' A' ' 8' ' ' CYS . 36.9 m -60.94 -120.67 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.53 -80.59 0.09 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.673 -1.267 . . . . 0.0 109.806 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.07 22.99 23.14 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -139.4 -71.62 0.39 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -1.135 . . . . 0.0 109.266 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 3.7 m -80.36 51.39 1.42 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -79.93 162.84 24.73 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.334 0.588 . . . . 0.0 111.448 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.15 1.89 36.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.417 -0.802 . . . . 0.0 110.569 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.167 0.508 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 m -141.06 82.75 1.85 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.4 m-20 -124.44 -61.11 1.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.462 -178.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.495 ' O ' ' O ' ' A' ' 3' ' ' ASP . 80.6 m -54.96 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -153.75 -76.83 0.11 Allowed 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.597 -1.315 . . . . 0.0 109.273 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.75 23.02 11.23 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.452 -1.859 . . . . 0.0 108.452 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -127.28 -45.73 1.52 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.468 -1.019 . . . . 0.0 109.914 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' ' 1' ' ' ALA . 75.6 m -92.18 25.48 2.88 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -48.6 173.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.71 -0.619 . . . . 0.0 111.326 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.1 m -92.68 -23.08 19.08 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.433 -0.792 . . . . 0.0 110.677 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.589 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.112 0.482 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.47 83.13 1.85 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -131.99 -63.9 0.8 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.296 -0.961 . . . . 0.0 111.184 -178.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.563 ' O ' ' O ' ' A' ' 3' ' ' ASP . 52.6 m -52.59 -110.8 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -153.54 -84.93 0.07 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 120.5 -1.375 . . . . 0.0 109.397 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.01 16.54 59.3 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -122.93 -52.3 1.88 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.297 -1.119 . . . . 0.0 109.854 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' O ' ' O ' ' A' ' 1' ' ' ALA . 75.7 m -88.41 33.81 0.75 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 1' ' ' ALA . 32.5 p90 -58.19 162.43 3.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.856 -0.527 . . . . 0.0 111.081 -178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 26.1 p -129.02 11.5 6.03 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.482 -0.761 . . . . 0.0 110.429 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 CA-C-O 118.03 -1.428 . . . . 0.0 109.609 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.287 0.565 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 m -141.25 84.07 1.9 Allowed 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.3 m-20 -120.98 -60.62 1.63 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.213 -0.995 . . . . 0.0 111.621 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 3' ' ' ASP . 61.8 m -56.2 -106.9 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -153.12 -74.31 0.13 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.538 -1.351 . . . . 0.0 109.502 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.05 22.59 9.0 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -126.09 -41.55 1.93 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.408 -1.054 . . . . 0.0 109.791 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 1' ' ' ALA . 76.3 m -95.13 23.29 5.82 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' CYS . 13.8 p90 -44.08 171.62 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.334 0.588 . . . . 0.0 111.492 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.7 m -90.0 -23.96 21.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.426 -0.796 . . . . 0.0 110.276 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.744 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.174 0.512 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.69 83.02 1.84 Allowed 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 4' ' ' CYS . 2.4 m-20 -125.92 -60.67 1.28 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.387 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.499 ' O ' ' O ' ' A' ' 3' ' ' ASP . 72.3 m -55.21 -107.86 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -153.55 -77.03 0.11 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.583 -1.323 . . . . 0.0 109.213 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.05 21.81 12.99 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.32 -45.85 1.8 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.372 -1.076 . . . . 0.0 110.041 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 1' ' ' ALA . 77.4 m -92.47 24.51 3.43 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -47.1 174.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.408 0.623 . . . . 0.0 111.647 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 m -94.85 49.38 1.24 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 110.405 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.366 0.603 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 m -141.75 84.53 1.9 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' CYS . 52.9 m-20 -117.53 -60.78 1.78 Allowed 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.584 -178.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' ASP . 60.4 m -55.39 -104.98 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -153.92 -74.66 0.12 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.628 -1.295 . . . . 0.0 109.525 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.1 22.09 9.17 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.21 -42.29 2.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.362 -1.081 . . . . 0.0 109.784 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.01 23.11 5.16 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.6 174.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.329 0.585 . . . . 0.0 112.022 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.2 m -92.82 21.97 5.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.397 -0.814 . . . . 0.0 111.701 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.731 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.32 0.581 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -138.6 76.5 1.58 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.478 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.57 ' O ' ' O ' ' A' ' 4' ' ' CYS . 40.1 m-20 -137.45 -57.32 0.7 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.457 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.621 ' H ' ' HB2' ' A' ' 8' ' ' CYS . 59.6 m -54.79 -116.02 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -155.19 -47.25 0.08 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.065 -1.647 . . . . 0.0 110.792 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.05 -3.6 6.84 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -110.96 -47.21 3.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -1.185 . . . . 0.0 109.648 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.621 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 58.2 m -90.83 56.07 3.13 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' ALA . 24.2 p90 -85.2 160.02 19.98 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.253 0.549 . . . . 0.0 111.133 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 1.0 OUTLIER -128.46 31.42 5.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.517 -0.74 . . . . 0.0 109.732 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.873 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.638 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.367 0.603 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.6 m -142.47 80.52 1.7 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.55 ' O ' ' O ' ' A' ' 4' ' ' CYS . 53.0 m-20 -136.7 -64.7 0.58 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.408 -1.317 . . . . 0.0 111.639 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.55 ' O ' ' O ' ' A' ' 3' ' ' ASP . 35.5 m -55.52 -112.75 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -152.99 -74.9 0.13 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.438 -1.414 . . . . 0.0 109.616 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.22 13.42 36.96 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -120.95 -40.23 2.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.23 -1.159 . . . . 0.0 109.444 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.481 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 71.8 m -99.71 32.17 2.95 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.638 ' O ' ' O ' ' A' ' 1' ' ' ALA . 17.8 p90 -49.0 170.48 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.08 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.9 m -86.79 -29.25 22.44 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.455 -0.778 . . . . 0.0 109.852 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 CA-C-O 118.027 -1.429 . . . . 0.0 109.537 179.74 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.115 0.483 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.44 83.5 1.87 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' O ' ' A' ' 4' ' ' CYS . 54.5 m-20 -128.08 -62.35 1.06 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 119.284 -0.967 . . . . 0.0 111.276 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.529 ' O ' ' O ' ' A' ' 3' ' ' ASP . 67.8 m -54.64 -109.56 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -153.51 -78.08 0.11 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.646 -1.284 . . . . 0.0 109.197 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -112.23 22.98 17.01 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -128.04 -45.68 1.4 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.319 -1.107 . . . . 0.0 110.09 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.479 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 71.0 m -92.17 25.24 2.97 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -46.61 172.65 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.315 0.579 . . . . 0.0 111.639 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.68 -24.12 17.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.377 -0.827 . . . . 0.0 111.135 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.526 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.072 0.463 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.54 82.07 1.8 Allowed 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.544 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.2 m-20 -116.71 -67.67 0.98 Allowed 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.529 -0.868 . . . . 0.0 111.469 -178.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.544 ' O ' ' O ' ' A' ' 3' ' ' ASP . 60.4 m -49.16 -106.47 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -154.85 -87.7 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.696 -1.253 . . . . 0.0 109.067 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.91 28.87 13.97 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -134.23 -50.72 0.81 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.311 -1.111 . . . . 0.0 110.366 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' O ' ' A' ' 1' ' ' ALA . 73.4 m -87.58 28.68 0.96 Allowed 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' A' ' 1' ' ' ALA . 4.6 p90 -54.99 178.43 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.453 0.644 . . . . 0.0 111.847 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.9 m -98.15 -11.23 23.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.588 -0.695 . . . . 0.0 110.957 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.534 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.809 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.339 0.59 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 1.3 m -140.76 78.85 1.67 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 4' ' ' CYS . 57.8 m-20 -133.17 -64.63 0.73 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 119.091 -1.044 . . . . 0.0 111.296 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.534 ' O ' ' O ' ' A' ' 3' ' ' ASP . 39.2 m -52.76 -108.81 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -152.75 -77.24 0.12 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.364 -1.46 . . . . 0.0 110.097 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.44 11.38 39.46 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -119.51 -46.06 2.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -1.174 . . . . 0.0 109.678 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 75.2 m -90.47 49.5 1.69 Allowed 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -86.25 163.01 17.99 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.362 0.601 . . . . 0.0 111.476 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.6 m -98.7 -4.49 33.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.485 -0.76 . . . . 0.0 110.613 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 CA-C-O 117.962 -1.466 . . . . 0.0 109.526 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.257 0.551 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -142.17 82.22 1.78 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.59 ' O ' ' O ' ' A' ' 4' ' ' CYS . 17.8 m-20 -136.01 -62.61 0.67 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.797 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.59 ' O ' ' O ' ' A' ' 3' ' ' ASP . 66.4 m -52.65 -115.14 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.72 -45.36 0.09 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.225 -1.547 . . . . 0.0 110.368 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.27 2.64 4.3 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -113.36 -40.44 3.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.347 -1.09 . . . . 0.0 109.776 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 79.5 m -96.24 40.04 1.14 Allowed 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 12.4 p90 -69.09 170.31 10.23 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.88 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.7 m -104.22 -5.29 22.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.34 -0.85 . . . . 0.0 110.69 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 118.019 -1.434 . . . . 0.0 109.571 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.979 0.419 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -141.03 79.39 1.69 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.58 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.9 m-20 -134.51 -66.19 0.61 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.222 -0.924 . . . . 0.0 111.124 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.58 ' O ' ' O ' ' A' ' 3' ' ' ASP . 56.7 m -50.61 -110.11 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -153.55 -83.17 0.08 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.396 -1.44 . . . . 0.0 109.487 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.58 10.81 62.97 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.85 -51.79 2.24 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.12 -1.223 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 70.9 m -85.76 41.75 0.93 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 18.1 p90 -79.02 168.29 19.89 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.217 0.532 . . . . 0.0 111.324 -178.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.7 m -103.2 -7.48 21.18 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.331 -0.856 . . . . 0.0 110.588 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.472 0 CA-C-O 118.018 -1.435 . . . . 0.0 109.546 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.155 0.502 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.67 83.17 1.84 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.564 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.0 m-20 -133.83 -62.9 0.76 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.27 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.564 ' O ' ' O ' ' A' ' 3' ' ' ASP . 33.8 m -54.41 -112.84 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.19 -89.6 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.44 -1.413 . . . . 0.0 109.539 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.41 29.02 8.75 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -139.55 -49.79 0.49 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.393 -1.063 . . . . 0.0 110.0 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.483 ' O ' ' O ' ' A' ' 1' ' ' ALA . 90.2 m -90.31 33.51 0.89 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' A' ' 1' ' ' ALA . 18.8 p90 -56.71 161.95 2.55 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.297 0.57 . . . . 0.0 111.267 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 25.5 p -129.54 63.15 1.52 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.53 -0.732 . . . . 0.0 110.078 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 118.024 -1.431 . . . . 0.0 109.563 -179.871 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.219 0.533 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -140.42 78.63 1.66 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.597 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.8 m-20 -136.16 -70.49 0.47 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.083 -1.011 . . . . 0.0 111.27 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.597 ' O ' ' O ' ' A' ' 3' ' ' ASP . 39.9 m -49.93 -111.15 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -153.37 -85.28 0.07 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.384 -1.447 . . . . 0.0 109.606 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.78 12.99 66.93 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.331 -1.507 . . . . 0.0 109.331 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -121.5 -56.24 1.89 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.194 -1.18 . . . . 0.0 109.955 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 76.7 m -82.84 37.32 0.53 Allowed 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -75.5 167.06 22.61 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.264 0.554 . . . . 0.0 110.975 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 3.4 p -144.64 66.42 1.26 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.458 -0.776 . . . . 0.0 110.011 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 118.002 -1.443 . . . . 0.0 109.535 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.137 0.494 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.63 82.98 1.84 Allowed 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 4' ' ' CYS . 23.2 m-20 -131.3 -63.41 0.85 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.23 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.536 ' O ' ' O ' ' A' ' 3' ' ' ASP . 40.0 m -53.63 -110.73 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -153.78 -85.26 0.06 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.448 -1.407 . . . . 0.0 109.464 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.48 21.01 47.37 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.82 -52.29 1.34 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.343 -1.092 . . . . 0.0 109.631 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 76.2 m -88.86 34.35 0.78 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -59.48 162.83 4.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.868 -0.52 . . . . 0.0 111.301 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 25.6 p -128.43 11.56 6.35 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.402 -0.811 . . . . 0.0 110.571 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.506 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.502 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.005 0.431 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.73 82.01 1.83 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.558 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -126.36 -64.15 1.05 Allowed 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.127 -178.725 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.558 ' O ' ' O ' ' A' ' 3' ' ' ASP . 60.2 m -51.51 -110.13 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -153.72 -82.56 0.08 Allowed 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.563 -1.335 . . . . 0.0 109.276 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.37 19.03 46.78 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -125.52 -49.56 1.65 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.225 -1.162 . . . . 0.0 109.774 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.521 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 71.8 m -90.21 32.15 0.95 Allowed 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -57.3 163.46 2.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.822 -0.549 . . . . 0.0 111.494 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 24.7 p -127.87 8.55 6.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.411 -0.805 . . . . 0.0 110.466 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 117.981 -1.455 . . . . 0.0 109.613 -179.743 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.202 0.525 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 1.3 m -140.93 78.97 1.67 Allowed 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.2 m-20 -134.96 -65.6 0.62 Allowed 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.049 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.571 ' O ' ' O ' ' A' ' 3' ' ' ASP . 49.4 m -51.34 -111.15 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -153.47 -77.9 0.11 Allowed 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.359 -1.463 . . . . 0.0 109.82 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.28 9.65 56.2 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -120.2 -49.31 2.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.119 -1.224 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.516 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 82.3 m -86.36 48.95 1.7 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -83.0 165.01 20.01 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 121.114 0.483 . . . . 0.0 111.252 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.1 m -101.93 -20.96 14.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.324 -0.86 . . . . 0.0 110.66 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.878 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.436 0.636 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m -142.5 78.82 1.63 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' O ' ' A' ' 4' ' ' CYS . 61.1 m-20 -137.22 -63.12 0.6 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 118.368 -1.333 . . . . 0.0 111.705 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 3' ' ' ASP . 44.1 m -57.61 -112.81 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -152.93 -74.12 0.13 Allowed 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.415 -1.428 . . . . 0.0 109.321 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.84 16.77 25.6 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -121.44 -42.87 2.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.241 -1.152 . . . . 0.0 109.258 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 77.9 m -98.07 25.99 5.64 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -43.98 168.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.346 0.593 . . . . 0.0 111.727 -178.325 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.8 m -91.45 15.05 13.08 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.537 -0.727 . . . . 0.0 112.003 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.618 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.139 0.495 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 59.5 m -139.25 67.04 1.4 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.429 -0.794 . . . . 0.0 109.451 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 4' ' ' CYS . 5.5 m-20 -139.36 -48.46 0.48 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.094 -1.004 . . . . 0.0 110.407 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.602 ' H ' ' HB2' ' A' ' 8' ' ' CYS . 36.9 m -60.94 -120.67 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.53 -80.59 0.09 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.673 -1.267 . . . . 0.0 109.806 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.07 22.99 23.14 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -139.4 -71.62 0.39 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -1.135 . . . . 0.0 109.266 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 3.7 m -80.36 51.39 1.42 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -79.93 162.84 24.73 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.334 0.588 . . . . 0.0 111.448 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.15 1.89 36.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.417 -0.802 . . . . 0.0 110.569 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.167 0.508 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 m -141.06 82.75 1.85 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.4 m-20 -124.44 -61.11 1.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.462 -178.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.495 ' O ' ' O ' ' A' ' 3' ' ' ASP . 80.6 m -54.96 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -153.75 -76.83 0.11 Allowed 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.597 -1.315 . . . . 0.0 109.273 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.75 23.02 11.23 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.452 -1.859 . . . . 0.0 108.452 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -127.28 -45.73 1.52 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.468 -1.019 . . . . 0.0 109.914 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 75.6 m -92.18 25.48 2.88 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -48.6 173.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.71 -0.619 . . . . 0.0 111.326 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.1 m -92.68 -23.08 19.08 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.433 -0.792 . . . . 0.0 110.677 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.589 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.112 0.482 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.47 83.13 1.85 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -131.99 -63.9 0.8 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.296 -0.961 . . . . 0.0 111.184 -178.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.563 ' O ' ' O ' ' A' ' 3' ' ' ASP . 52.6 m -52.59 -110.8 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -153.54 -84.93 0.07 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 120.5 -1.375 . . . . 0.0 109.397 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.01 16.54 59.3 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -122.93 -52.3 1.88 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.297 -1.119 . . . . 0.0 109.854 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.518 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 75.7 m -88.41 33.81 0.75 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 1' ' ' ALA . 32.5 p90 -58.19 162.43 3.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.856 -0.527 . . . . 0.0 111.081 -178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 26.1 p -129.02 11.5 6.03 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.482 -0.761 . . . . 0.0 110.429 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 CA-C-O 118.03 -1.428 . . . . 0.0 109.609 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.287 0.565 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 m -141.25 84.07 1.9 Allowed 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.3 m-20 -120.98 -60.62 1.63 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.213 -0.995 . . . . 0.0 111.621 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 3' ' ' ASP . 61.8 m -56.2 -106.9 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -153.12 -74.31 0.13 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.538 -1.351 . . . . 0.0 109.502 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.05 22.59 9.0 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -126.09 -41.55 1.93 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.408 -1.054 . . . . 0.0 109.791 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 76.3 m -95.13 23.29 5.82 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' CYS . 13.8 p90 -44.08 171.62 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.334 0.588 . . . . 0.0 111.492 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.7 m -90.0 -23.96 21.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.426 -0.796 . . . . 0.0 110.276 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.744 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.174 0.512 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.69 83.02 1.84 Allowed 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 4' ' ' CYS . 2.4 m-20 -125.92 -60.67 1.28 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.387 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.499 ' O ' ' O ' ' A' ' 3' ' ' ASP . 72.3 m -55.21 -107.86 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -153.55 -77.03 0.11 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.583 -1.323 . . . . 0.0 109.213 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.05 21.81 12.99 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.32 -45.85 1.8 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.372 -1.076 . . . . 0.0 110.041 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 77.4 m -92.47 24.51 3.43 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -47.1 174.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.408 0.623 . . . . 0.0 111.647 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 m -94.85 49.38 1.24 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 110.405 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.366 0.603 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 m -141.75 84.53 1.9 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' CYS . 52.9 m-20 -117.53 -60.78 1.78 Allowed 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.584 -178.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' ASP . 60.4 m -55.39 -104.98 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -153.92 -74.66 0.12 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.628 -1.295 . . . . 0.0 109.525 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.1 22.09 9.17 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.21 -42.29 2.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.362 -1.081 . . . . 0.0 109.784 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 81.8 m -94.01 23.11 5.16 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.6 174.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.329 0.585 . . . . 0.0 112.022 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.2 m -92.82 21.97 5.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.397 -0.814 . . . . 0.0 111.701 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.731 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.32 0.581 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -138.6 76.5 1.58 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.478 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.57 ' O ' ' O ' ' A' ' 4' ' ' CYS . 40.1 m-20 -137.45 -57.32 0.7 Allowed 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.46 -0.896 . . . . 0.0 110.457 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.621 ' H ' ' HB2' ' A' ' 8' ' ' CYS . 59.6 m -54.79 -116.02 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -155.19 -47.25 0.08 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.065 -1.647 . . . . 0.0 110.792 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.05 -3.6 6.84 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -110.96 -47.21 3.24 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.185 -1.185 . . . . 0.0 109.648 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.621 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 58.2 m -90.83 56.07 3.13 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 1' ' ' ALA . 24.2 p90 -85.2 160.02 19.98 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.253 0.549 . . . . 0.0 111.133 -177.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 1.0 OUTLIER -128.46 31.42 5.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.517 -0.74 . . . . 0.0 109.732 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.873 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.638 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.367 0.603 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.6 m -142.47 80.52 1.7 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.55 ' O ' ' O ' ' A' ' 4' ' ' CYS . 53.0 m-20 -136.7 -64.7 0.58 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.408 -1.317 . . . . 0.0 111.639 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.55 ' O ' ' O ' ' A' ' 3' ' ' ASP . 35.5 m -55.52 -112.75 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -152.99 -74.9 0.13 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.438 -1.414 . . . . 0.0 109.616 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.22 13.42 36.96 Favored Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.032 -1.627 . . . . 0.0 109.032 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -120.95 -40.23 2.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.23 -1.159 . . . . 0.0 109.444 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.481 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 71.8 m -99.71 32.17 2.95 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.638 ' O ' ' O ' ' A' ' 1' ' ' ALA . 17.8 p90 -49.0 170.48 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.08 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.9 m -86.79 -29.25 22.44 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.455 -0.778 . . . . 0.0 109.852 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 CA-C-O 118.027 -1.429 . . . . 0.0 109.537 179.74 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.115 0.483 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.44 83.5 1.87 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' O ' ' A' ' 4' ' ' CYS . 54.5 m-20 -128.08 -62.35 1.06 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 119.284 -0.967 . . . . 0.0 111.276 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.529 ' O ' ' O ' ' A' ' 3' ' ' ASP . 67.8 m -54.64 -109.56 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -153.51 -78.08 0.11 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.646 -1.284 . . . . 0.0 109.197 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -112.23 22.98 17.01 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -128.04 -45.68 1.4 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.319 -1.107 . . . . 0.0 110.09 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.479 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 71.0 m -92.17 25.24 2.97 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -46.61 172.65 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.315 0.579 . . . . 0.0 111.639 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.68 -24.12 17.29 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.377 -0.827 . . . . 0.0 111.135 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.526 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.905 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.072 0.463 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.54 82.07 1.8 Allowed 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.544 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.2 m-20 -116.71 -67.67 0.98 Allowed 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.529 -0.868 . . . . 0.0 111.469 -178.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.544 ' O ' ' O ' ' A' ' 3' ' ' ASP . 60.4 m -49.16 -106.47 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -154.85 -87.7 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.696 -1.253 . . . . 0.0 109.067 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.91 28.87 13.97 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -134.23 -50.72 0.81 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.311 -1.111 . . . . 0.0 110.366 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' O ' ' A' ' 1' ' ' ALA . 73.4 m -87.58 28.68 0.96 Allowed 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' A' ' 1' ' ' ALA . 4.6 p90 -54.99 178.43 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.453 0.644 . . . . 0.0 111.847 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.9 m -98.15 -11.23 23.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.588 -0.695 . . . . 0.0 110.957 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.534 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.809 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.339 0.59 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 1.3 m -140.76 78.85 1.67 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 4' ' ' CYS . 57.8 m-20 -133.17 -64.63 0.73 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 119.091 -1.044 . . . . 0.0 111.296 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.534 ' O ' ' O ' ' A' ' 3' ' ' ASP . 39.2 m -52.76 -108.81 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -152.75 -77.24 0.12 Allowed 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.364 -1.46 . . . . 0.0 110.097 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.44 11.38 39.46 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -119.51 -46.06 2.49 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -1.174 . . . . 0.0 109.678 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 75.2 m -90.47 49.5 1.69 Allowed 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -86.25 163.01 17.99 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 121.362 0.601 . . . . 0.0 111.476 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.6 m -98.7 -4.49 33.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.485 -0.76 . . . . 0.0 110.613 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 CA-C-O 117.962 -1.466 . . . . 0.0 109.526 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.257 0.551 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -142.17 82.22 1.78 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.59 ' O ' ' O ' ' A' ' 4' ' ' CYS . 17.8 m-20 -136.01 -62.61 0.67 Allowed 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.797 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.59 ' O ' ' O ' ' A' ' 3' ' ' ASP . 66.4 m -52.65 -115.14 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.72 -45.36 0.09 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.225 -1.547 . . . . 0.0 110.368 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.27 2.64 4.3 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -113.36 -40.44 3.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.347 -1.09 . . . . 0.0 109.776 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 79.5 m -96.24 40.04 1.14 Allowed 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 12.4 p90 -69.09 170.31 10.23 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.88 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.7 m -104.22 -5.29 22.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.34 -0.85 . . . . 0.0 110.69 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' O ' ' CE1' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 118.019 -1.434 . . . . 0.0 109.571 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.979 0.419 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 m -141.03 79.39 1.69 Allowed 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.58 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.9 m-20 -134.51 -66.19 0.61 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.222 -0.924 . . . . 0.0 111.124 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.58 ' O ' ' O ' ' A' ' 3' ' ' ASP . 56.7 m -50.61 -110.11 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -153.55 -83.17 0.08 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.396 -1.44 . . . . 0.0 109.487 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.58 10.81 62.97 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -119.85 -51.79 2.24 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.12 -1.223 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 70.9 m -85.76 41.75 0.93 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 18.1 p90 -79.02 168.29 19.89 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.217 0.532 . . . . 0.0 111.324 -178.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.7 m -103.2 -7.48 21.18 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.331 -0.856 . . . . 0.0 110.588 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.472 0 CA-C-O 118.018 -1.435 . . . . 0.0 109.546 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.155 0.502 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.67 83.17 1.84 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.564 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.0 m-20 -133.83 -62.9 0.76 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.211 -0.996 . . . . 0.0 111.27 -178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.564 ' O ' ' O ' ' A' ' 3' ' ' ASP . 33.8 m -54.41 -112.84 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.19 -89.6 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.44 -1.413 . . . . 0.0 109.539 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.41 29.02 8.75 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.907 -1.677 . . . . 0.0 108.907 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -139.55 -49.79 0.49 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.393 -1.063 . . . . 0.0 110.0 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.483 ' O ' ' O ' ' A' ' 1' ' ' ALA . 90.2 m -90.31 33.51 0.89 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.446 ' O ' ' O ' ' A' ' 1' ' ' ALA . 18.8 p90 -56.71 161.95 2.55 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 121.297 0.57 . . . . 0.0 111.267 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 25.5 p -129.54 63.15 1.52 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.53 -0.732 . . . . 0.0 110.078 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 118.024 -1.431 . . . . 0.0 109.563 -179.871 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.219 0.533 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -140.42 78.63 1.66 Allowed 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.597 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.8 m-20 -136.16 -70.49 0.47 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.083 -1.011 . . . . 0.0 111.27 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.597 ' O ' ' O ' ' A' ' 3' ' ' ASP . 39.9 m -49.93 -111.15 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -153.37 -85.28 0.07 Allowed 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.384 -1.447 . . . . 0.0 109.606 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.78 12.99 66.93 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.331 -1.507 . . . . 0.0 109.331 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -121.5 -56.24 1.89 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.194 -1.18 . . . . 0.0 109.955 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 76.7 m -82.84 37.32 0.53 Allowed 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -75.5 167.06 22.61 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.264 0.554 . . . . 0.0 110.975 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 3.4 p -144.64 66.42 1.26 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.458 -0.776 . . . . 0.0 110.011 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 118.002 -1.443 . . . . 0.0 109.535 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.137 0.494 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.63 82.98 1.84 Allowed 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.536 ' O ' ' O ' ' A' ' 4' ' ' CYS . 23.2 m-20 -131.3 -63.41 0.85 Allowed 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.23 -178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.536 ' O ' ' O ' ' A' ' 3' ' ' ASP . 40.0 m -53.63 -110.73 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -153.78 -85.26 0.06 Allowed 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.448 -1.407 . . . . 0.0 109.464 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.48 21.01 47.37 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.82 -52.29 1.34 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.343 -1.092 . . . . 0.0 109.631 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 76.2 m -88.86 34.35 0.78 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -59.48 162.83 4.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.868 -0.52 . . . . 0.0 111.301 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 25.6 p -128.43 11.56 6.35 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.402 -0.811 . . . . 0.0 110.571 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.506 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.502 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.005 0.431 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.73 82.01 1.83 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.558 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -126.36 -64.15 1.05 Allowed 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 119.312 -0.955 . . . . 0.0 111.127 -178.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.558 ' O ' ' O ' ' A' ' 3' ' ' ASP . 60.2 m -51.51 -110.13 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 mtt-85 -153.72 -82.56 0.08 Allowed 'General case' 0 C--N 1.304 -1.386 0 O-C-N 120.563 -1.335 . . . . 0.0 109.276 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.37 19.03 46.78 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.956 -1.658 . . . . 0.0 108.956 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -125.52 -49.56 1.65 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.225 -1.162 . . . . 0.0 109.774 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.521 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 71.8 m -90.21 32.15 0.95 Allowed 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -57.3 163.46 2.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.822 -0.549 . . . . 0.0 111.494 -178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 24.7 p -127.87 8.55 6.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.411 -0.805 . . . . 0.0 110.466 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 CA-C-O 117.981 -1.455 . . . . 0.0 109.613 -179.743 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.202 0.525 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 1.3 m -140.93 78.97 1.67 Allowed 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.2 m-20 -134.96 -65.6 0.62 Allowed 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.049 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.571 ' O ' ' O ' ' A' ' 3' ' ' ASP . 49.4 m -51.34 -111.15 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -153.47 -77.9 0.11 Allowed 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.359 -1.463 . . . . 0.0 109.82 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.28 9.65 56.2 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -120.2 -49.31 2.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.119 -1.224 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.516 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 82.3 m -86.36 48.95 1.7 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 178.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -83.0 165.01 20.01 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 121.114 0.483 . . . . 0.0 111.252 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.1 m -101.93 -20.96 14.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.324 -0.86 . . . . 0.0 110.66 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 -179.878 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.436 0.636 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 67.3 m -142.5 78.82 1.63 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.511 ' O ' ' O ' ' A' ' 4' ' ' CYS . 61.1 m-20 -137.22 -63.12 0.6 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 118.368 -1.333 . . . . 0.0 111.705 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 3' ' ' ASP . 44.1 m -57.61 -112.81 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -152.93 -74.12 0.13 Allowed 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.415 -1.428 . . . . 0.0 109.321 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.84 16.77 25.6 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -121.44 -42.87 2.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.241 -1.152 . . . . 0.0 109.258 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.444 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 77.9 m -98.07 25.99 5.64 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -43.98 168.86 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.346 0.593 . . . . 0.0 111.727 -178.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.8 m -91.45 15.05 13.08 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.537 -0.727 . . . . 0.0 112.003 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.618 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.139 0.495 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 59.5 m -139.25 67.04 1.4 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.429 -0.794 . . . . 0.0 109.451 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 4' ' ' CYS . 5.5 m-20 -139.36 -48.46 0.48 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.094 -1.004 . . . . 0.0 110.407 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.602 ' H ' ' HB2' ' A' ' 8' ' ' CYS . 36.9 m -60.94 -120.67 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.53 -80.59 0.09 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.673 -1.267 . . . . 0.0 109.806 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.07 22.99 23.14 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -139.4 -71.62 0.39 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.271 -1.135 . . . . 0.0 109.266 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 3.7 m -80.36 51.39 1.42 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -79.93 162.84 24.73 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.334 0.588 . . . . 0.0 111.448 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.15 1.89 36.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.417 -0.802 . . . . 0.0 110.569 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.167 0.508 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 m -141.06 82.75 1.85 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.495 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.4 m-20 -124.44 -61.11 1.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 119.321 -0.952 . . . . 0.0 111.462 -178.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.495 ' O ' ' O ' ' A' ' 3' ' ' ASP . 80.6 m -54.96 -107.45 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -153.75 -76.83 0.11 Allowed 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.597 -1.315 . . . . 0.0 109.273 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.75 23.02 11.23 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.452 -1.859 . . . . 0.0 108.452 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -127.28 -45.73 1.52 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.468 -1.019 . . . . 0.0 109.914 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 75.6 m -92.18 25.48 2.88 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -48.6 173.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.71 -0.619 . . . . 0.0 111.326 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.1 m -92.68 -23.08 19.08 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.433 -0.792 . . . . 0.0 110.677 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.589 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.112 0.482 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.47 83.13 1.85 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -131.99 -63.9 0.8 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 119.296 -0.961 . . . . 0.0 111.184 -178.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.563 ' O ' ' O ' ' A' ' 3' ' ' ASP . 52.6 m -52.59 -110.8 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -153.54 -84.93 0.07 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 120.5 -1.375 . . . . 0.0 109.397 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -99.01 16.54 59.3 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -122.93 -52.3 1.88 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.297 -1.119 . . . . 0.0 109.854 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.518 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 75.7 m -88.41 33.81 0.75 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 1' ' ' ALA . 32.5 p90 -58.19 162.43 3.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.856 -0.527 . . . . 0.0 111.081 -178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 1' ' ' ALA . 26.1 p -129.02 11.5 6.03 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.482 -0.761 . . . . 0.0 110.429 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 CA-C-O 118.03 -1.428 . . . . 0.0 109.609 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.287 0.565 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.6 m -141.25 84.07 1.9 Allowed 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.3 m-20 -120.98 -60.62 1.63 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.213 -0.995 . . . . 0.0 111.621 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.464 ' O ' ' O ' ' A' ' 3' ' ' ASP . 61.8 m -56.2 -106.9 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -153.12 -74.31 0.13 Allowed 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.538 -1.351 . . . . 0.0 109.502 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.05 22.59 9.0 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 108.386 -1.886 . . . . 0.0 108.386 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -126.09 -41.55 1.93 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.408 -1.054 . . . . 0.0 109.791 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 76.3 m -95.13 23.29 5.82 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' CYS . 13.8 p90 -44.08 171.62 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.334 0.588 . . . . 0.0 111.492 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.7 m -90.0 -23.96 21.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.426 -0.796 . . . . 0.0 110.276 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.744 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.174 0.512 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -141.69 83.02 1.84 Allowed 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 4' ' ' CYS . 2.4 m-20 -125.92 -60.67 1.28 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.387 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.499 ' O ' ' O ' ' A' ' 3' ' ' ASP . 72.3 m -55.21 -107.86 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -153.55 -77.03 0.11 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.583 -1.323 . . . . 0.0 109.213 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.05 21.81 12.99 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.494 -1.842 . . . . 0.0 108.494 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.32 -45.85 1.8 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.372 -1.076 . . . . 0.0 110.041 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.468 ' H ' ' HB2' ' A' ' 4' ' ' CYS . 77.4 m -92.47 24.51 3.43 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -47.1 174.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.408 0.623 . . . . 0.0 111.647 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 m -94.85 49.38 1.24 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 110.405 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.366 0.603 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.1 m -141.75 84.53 1.9 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' CYS . 52.9 m-20 -117.53 -60.78 1.78 Allowed 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.584 -178.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' ASP . 60.4 m -55.39 -104.98 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -153.92 -74.66 0.12 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.628 -1.295 . . . . 0.0 109.525 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.1 22.09 9.17 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.21 -42.29 2.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.362 -1.081 . . . . 0.0 109.784 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HB2' ' H ' ' A' ' 4' ' ' CYS . 81.8 m -94.01 23.11 5.16 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.6 174.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 CA-C-O 121.329 0.585 . . . . 0.0 112.022 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 57.2 m -92.82 21.97 5.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.397 -0.814 . . . . 0.0 111.701 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.731 . . . . . . . . 0 0 . 1 stop_ save_