data_1uyb_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 1uyb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.191 0.52 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.19 17.54 6.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 109.97 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -126.53 48.28 2.17 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.682 -0.637 . . . . 0.0 109.749 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 65.0 m -114.6 -175.53 2.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.843 . . . . 0.0 110.375 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 85.0 t -91.0 24.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.394 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -174.25 -145.08 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.61 -0.681 . . . . 0.0 109.611 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.6 45.11 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.945 -1.097 . . . . 0.0 110.455 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.04 26.46 0.8 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.161 -0.962 . . . . 0.0 110.075 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t 45.84 25.12 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.438 -0.789 . . . . 0.0 109.821 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.6 p -122.37 102.1 7.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 0.0 109.214 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 107.16 41.95 1.58 Allowed Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' O ' ' O ' ' A' ' 16' ' ' LEU . 39.6 m -89.9 92.89 9.2 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.509 -0.995 . . . . 0.0 110.305 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 15' ' ' CYS . 6.6 mt . . . . . 0 C--N 1.298 -1.648 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.292 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 69.9 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.245 0.545 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.433 ' C ' HD11 ' A' ' 6' ' ' LEU . 4.7 tt0 -99.67 19.41 15.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.433 HD11 ' C ' ' A' ' 5' ' ' GLU . 2.1 mp -147.3 62.77 1.16 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.567 -0.708 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 9' ' ' ASN . 18.2 p -174.34 -167.32 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 92.2 t -57.48 83.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 74.76 173.62 0.26 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.628 -0.67 . . . . 0.0 109.975 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.51 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 5.3 t -112.09 74.12 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 0.0 110.377 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -141.27 22.85 2.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.989 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' ALA . 55.7 m 40.24 36.92 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.573 -0.705 . . . . 0.0 110.505 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.6 p -142.2 111.02 6.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 109.941 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.64 61.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.43 92.9 6.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -1.116 . . . . 0.0 110.175 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.298 -1.667 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.216 0.531 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -94.61 19.37 9.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.275 -0.891 . . . . 0.0 110.028 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 24.55 1.24 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.602 -0.686 . . . . 0.0 110.251 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 p -83.05 -148.15 0.09 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.96 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 23.9 t -80.44 16.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 111.579 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.487 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 40.7 p30 -178.62 -149.5 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.231 -0.918 . . . . 0.0 110.425 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.2 50.36 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.211 -0.931 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -147.77 14.22 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 110.55 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 39.59 48.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.58 -0.7 . . . . 0.0 110.248 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.35 110.66 7.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.246 -0.909 . . . . 0.0 110.575 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.05 39.98 94.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -96.32 -152.9 0.39 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.265 -1.138 . . . . 0.0 109.431 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.298 -1.664 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.119 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.46 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 25.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.25 0.548 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -99.61 19.66 15.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.068 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mt -163.85 62.72 0.16 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.655 -0.653 . . . . 0.0 110.206 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HB2' ' CA ' ' A' ' 15' ' ' CYS . 26.4 p -143.16 -164.12 1.78 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 110.162 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.23 54.11 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 110.391 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 177.54 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.186 -0.947 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -137.26 31.92 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.293 -0.88 . . . . 0.0 110.217 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.95 26.17 1.25 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 110.106 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 0.5 OUTLIER 56.41 28.08 13.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.448 -0.782 . . . . 0.0 110.065 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.98 110.83 6.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.334 -0.854 . . . . 0.0 109.641 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.19 41.88 3.63 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 57.6 m -102.87 94.08 5.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.477 -1.013 . . . . 0.0 110.2 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 20.9 p . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.216 0.531 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 5' ' ' GLU . 32.5 tt0 -92.13 17.86 8.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.372 -0.83 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.11 57.3 1.55 Allowed 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.661 -0.649 . . . . 0.0 110.155 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 9' ' ' ASN . 19.1 p -144.64 -144.0 0.15 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 0.0 110.116 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 52.9 t -87.94 22.94 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.96 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.6 p-10 171.77 172.52 0.09 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.506 -0.747 . . . . 0.0 109.997 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -120.83 53.9 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 0.0 110.09 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.34 26.45 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.182 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.8 m 46.48 36.35 3.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.449 -0.782 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p -149.84 109.35 4.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 0.0 110.083 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.34 37.83 6.11 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 m -97.88 92.33 5.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -1.115 . . . . 0.0 110.086 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.21 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.252 0.548 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -100.04 18.12 19.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.64 63.53 0.31 Allowed 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.461 -0.775 . . . . 0.0 110.218 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.4 p -159.18 178.13 10.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 110.107 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 95.4 t -42.13 92.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.55 -0.719 . . . . 0.0 110.145 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 73.29 158.19 0.2 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.72 -0.612 . . . . 0.0 109.647 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.446 HG11 ' O ' ' A' ' 10' ' ' VAL . 8.8 p -111.59 75.71 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.168 -0.957 . . . . 0.0 110.488 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -136.52 21.97 3.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.27 -0.894 . . . . 0.0 109.855 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER 39.54 27.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.687 -0.633 . . . . 0.0 110.771 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -159.27 27.84 0.2 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.022 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -162.17 30.87 0.3 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 95.7 m -103.8 93.76 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -1.048 . . . . 0.0 110.227 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.278 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 27.5 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.278 0.561 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -95.82 18.29 13.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.238 -0.913 . . . . 0.0 110.029 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 2.0 mp -138.62 16.68 2.71 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.95 -168.39 1.91 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.212 -0.93 . . . . 0.0 110.208 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 14' ' ' GLY . 45.1 t -86.57 33.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.187 -0.945 . . . . 0.0 110.592 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 11' ' ' ALA . 2.4 p30 -169.52 -160.11 0.24 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.226 -0.921 . . . . 0.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.33 33.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.432 ' N ' ' OD1' ' A' ' 9' ' ' ASN . . . -147.03 25.99 1.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.096 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 51.68 20.78 1.18 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 13' ' ' THR . 99.0 m -123.92 25.73 7.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.229 -0.919 . . . . 0.0 109.766 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -151.57 45.04 0.64 Allowed Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.94 91.39 8.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.506 -0.997 . . . . 0.0 110.418 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' OXT' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.298 -1.637 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.172 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.22 0.533 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.475 ' HB3' HD13 ' A' ' 6' ' ' LEU . 3.7 tp10 -93.97 18.97 9.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.27 -0.894 . . . . 0.0 109.854 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 5' ' ' GLU . 1.2 mp -152.19 50.87 0.78 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.379 0.609 . . . . 0.0 109.442 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -140.93 -175.02 4.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.831 . . . . 0.0 110.3 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 62.1 t -84.2 28.63 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.184 -0.948 . . . . 0.0 110.757 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 57.2 p30 -178.56 -158.94 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 0.0 109.989 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 9' ' ' ASN . 25.0 m -138.66 34.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.63 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.473 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -149.91 21.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.137 -0.977 . . . . 0.0 110.468 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.6 m 42.58 41.14 2.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.334 -0.854 . . . . 0.0 110.466 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 3.2 m -149.58 125.38 10.48 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.24 46.52 49.61 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -98.52 -153.82 0.44 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.562 -0.963 . . . . 0.0 110.08 -179.145 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.297 -1.694 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.189 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.314 0.578 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 2.5 tt0 -92.2 18.7 7.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -0.878 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 3.7 mt -140.43 50.65 1.68 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -133.19 -160.38 1.04 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.166 -0.959 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.508 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 2.9 t -65.68 -129.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 109.647 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 8' ' ' VAL . 6.4 p-10 -39.97 158.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.35 58.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.252 -0.905 . . . . 0.0 110.534 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HB2' ' OG1' ' A' ' 13' ' ' THR . . . -142.78 18.38 1.99 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.137 -0.977 . . . . 0.0 110.328 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' ALA . 56.2 m 38.11 31.25 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.779 -0.576 . . . . 0.0 110.858 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.461 ' OG1' ' HB2' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -136.88 108.27 6.88 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.256 -0.902 . . . . 0.0 109.58 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.36 34.0 37.76 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -95.09 -152.17 0.35 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.459 -1.024 . . . . 0.0 109.791 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD21 ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.297 -1.696 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.106 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.289 0.566 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.33 17.36 9.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 0.0 109.968 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.422 ' N ' HD11 ' A' ' 6' ' ' LEU . 1.8 mp -129.72 8.67 5.35 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.43 0.634 . . . . 0.0 109.883 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -57.02 174.92 0.15 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -88.69 28.89 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 0.0 109.946 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -171.52 -143.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.429 -0.795 . . . . 0.0 109.767 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 89.6 t -134.65 43.07 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.0 110.316 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -149.14 23.36 0.94 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.089 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ALA . 58.6 m 40.49 26.97 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.546 -0.721 . . . . 0.0 110.659 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 13' ' ' THR . 98.9 m -123.23 22.12 9.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.149 -0.969 . . . . 0.0 109.796 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.9 46.4 0.7 Allowed Glycine 0 N--CA 1.486 1.979 0 N-CA-C 108.696 -1.761 . . . . 0.0 108.696 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 m -89.96 91.63 8.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.376 -1.073 . . . . 0.0 110.138 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.297 -1.683 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.072 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.264 0.554 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -91.25 29.53 1.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 0.0 110.183 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.05 27.57 8.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 0.0 110.003 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER 49.35 43.31 23.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.366 -0.834 . . . . 0.0 110.304 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.19 17.54 6.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 109.97 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -126.53 48.28 2.17 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.682 -0.637 . . . . 0.0 109.749 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 65.0 m -114.6 -175.53 2.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.843 . . . . 0.0 110.375 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 85.0 t -91.0 24.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.394 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -174.25 -145.08 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.61 -0.681 . . . . 0.0 109.611 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.6 45.11 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.945 -1.097 . . . . 0.0 110.455 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.04 26.46 0.8 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.161 -0.962 . . . . 0.0 110.075 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t 45.84 25.12 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.438 -0.789 . . . . 0.0 109.821 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.6 p -122.37 102.1 7.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 0.0 109.214 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 107.16 41.95 1.58 Allowed Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' O ' ' O ' ' A' ' 16' ' ' LEU . 39.6 m -89.9 92.89 9.2 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.509 -0.995 . . . . 0.0 110.305 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 15' ' ' CYS . 6.6 mt . . . . . 0 C--N 1.298 -1.648 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.292 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.249 0.547 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.3 46.45 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.227 -0.921 . . . . 0.0 110.252 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 13.0 p-10 -114.08 99.43 7.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.177 -0.952 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 69.9 m 42.98 29.98 0.22 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.0 110.158 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' C ' HD11 ' A' ' 6' ' ' LEU . 4.7 tt0 -99.67 19.41 15.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 HD11 ' C ' ' A' ' 5' ' ' GLU . 2.1 mp -147.3 62.77 1.16 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.567 -0.708 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 9' ' ' ASN . 18.2 p -174.34 -167.32 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 92.2 t -57.48 83.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 74.76 173.62 0.26 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.628 -0.67 . . . . 0.0 109.975 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 5.3 t -112.09 74.12 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 0.0 110.377 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -141.27 22.85 2.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.989 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' ALA . 55.7 m 40.24 36.92 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.573 -0.705 . . . . 0.0 110.505 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.6 p -142.2 111.02 6.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 109.941 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.64 61.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.43 92.9 6.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -1.116 . . . . 0.0 110.175 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.298 -1.667 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.183 0.516 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -130.54 49.46 2.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 3.0 p30 -56.2 177.6 0.06 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.207 -0.933 . . . . 0.0 110.17 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 3' ' ' ASP . 28.2 p -177.82 45.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -94.61 19.37 9.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.275 -0.891 . . . . 0.0 110.028 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 24.55 1.24 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.602 -0.686 . . . . 0.0 110.251 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 p -83.05 -148.15 0.09 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.96 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 23.9 t -80.44 16.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 111.579 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.487 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 40.7 p30 -178.62 -149.5 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.231 -0.918 . . . . 0.0 110.425 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.2 50.36 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.211 -0.931 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -147.77 14.22 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 110.55 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 39.59 48.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.58 -0.7 . . . . 0.0 110.248 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.35 110.66 7.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.246 -0.909 . . . . 0.0 110.575 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.05 39.98 94.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -96.32 -152.9 0.39 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.265 -1.138 . . . . 0.0 109.431 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.298 -1.664 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.119 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' ASP . 3.7 p30 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.249 0.547 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' ASN . 0.4 OUTLIER 44.08 32.93 0.71 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.223 -0.923 . . . . 0.0 110.045 -179.881 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 55.39 -175.74 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 110.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.46 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 25.3 p -80.54 49.57 1.18 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 110.265 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -99.61 19.66 15.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.068 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mt -163.85 62.72 0.16 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.655 -0.653 . . . . 0.0 110.206 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HB2' ' CA ' ' A' ' 15' ' ' CYS . 26.4 p -143.16 -164.12 1.78 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 110.162 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.23 54.11 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 110.391 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 177.54 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.186 -0.947 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -137.26 31.92 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.293 -0.88 . . . . 0.0 110.217 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.95 26.17 1.25 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 110.106 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 0.5 OUTLIER 56.41 28.08 13.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.448 -0.782 . . . . 0.0 110.065 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.98 110.83 6.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.334 -0.854 . . . . 0.0 109.641 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.19 41.88 3.63 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 57.6 m -102.87 94.08 5.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.477 -1.013 . . . . 0.0 110.2 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.271 0.558 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -171.09 55.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -135.16 -174.99 3.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.208 -0.932 . . . . 0.0 110.158 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 20.9 p -115.85 30.41 7.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.188 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 5' ' ' GLU . 32.5 tt0 -92.13 17.86 8.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.372 -0.83 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.11 57.3 1.55 Allowed 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.661 -0.649 . . . . 0.0 110.155 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 9' ' ' ASN . 19.1 p -144.64 -144.0 0.15 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 0.0 110.116 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 52.9 t -87.94 22.94 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.96 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.6 p-10 171.77 172.52 0.09 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.506 -0.747 . . . . 0.0 109.997 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -120.83 53.9 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 0.0 110.09 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.34 26.45 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.182 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.8 m 46.48 36.35 3.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.449 -0.782 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p -149.84 109.35 4.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 0.0 110.083 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.34 37.83 6.11 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 m -97.88 92.33 5.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -1.115 . . . . 0.0 110.086 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.21 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.335 0.588 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.65 45.89 2.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.945 . . . . 0.0 110.1 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -104.67 176.2 5.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -0.913 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.91 43.95 1.87 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.334 -0.853 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -100.04 18.12 19.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.64 63.53 0.31 Allowed 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.461 -0.775 . . . . 0.0 110.218 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.4 p -159.18 178.13 10.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 110.107 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 95.4 t -42.13 92.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.55 -0.719 . . . . 0.0 110.145 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 73.29 158.19 0.2 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.72 -0.612 . . . . 0.0 109.647 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.446 HG11 ' O ' ' A' ' 10' ' ' VAL . 8.8 p -111.59 75.71 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.168 -0.957 . . . . 0.0 110.488 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -136.52 21.97 3.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.27 -0.894 . . . . 0.0 109.855 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER 39.54 27.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.687 -0.633 . . . . 0.0 110.771 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -159.27 27.84 0.2 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.022 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -162.17 30.87 0.3 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 95.7 m -103.8 93.76 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -1.048 . . . . 0.0 110.227 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.278 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.232 0.539 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -116.61 33.22 5.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.086 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.81 -170.15 2.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.33 -0.856 . . . . 0.0 110.267 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 27.5 p -108.38 59.69 0.61 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.253 -0.905 . . . . 0.0 110.188 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -95.82 18.29 13.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.238 -0.913 . . . . 0.0 110.029 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 2.0 mp -138.62 16.68 2.71 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.95 -168.39 1.91 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.212 -0.93 . . . . 0.0 110.208 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 14' ' ' GLY . 45.1 t -86.57 33.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.187 -0.945 . . . . 0.0 110.592 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 11' ' ' ALA . 2.4 p30 -169.52 -160.11 0.24 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.226 -0.921 . . . . 0.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.33 33.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' N ' ' OD1' ' A' ' 9' ' ' ASN . . . -147.03 25.99 1.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.096 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 51.68 20.78 1.18 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 13' ' ' THR . 99.0 m -123.92 25.73 7.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.229 -0.919 . . . . 0.0 109.766 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -151.57 45.04 0.64 Allowed Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.94 91.39 8.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.506 -0.997 . . . . 0.0 110.418 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' OXT' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.298 -1.637 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.172 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.0 m120 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.351 0.596 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -127.48 41.55 3.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.194 -0.941 . . . . 0.0 110.245 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -125.69 -165.85 1.48 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.211 -0.931 . . . . 0.0 110.283 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -94.31 65.86 3.34 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.285 -0.885 . . . . 0.0 110.334 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.475 ' HB3' HD13 ' A' ' 6' ' ' LEU . 3.7 tp10 -93.97 18.97 9.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.27 -0.894 . . . . 0.0 109.854 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 5' ' ' GLU . 1.2 mp -152.19 50.87 0.78 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.379 0.609 . . . . 0.0 109.442 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -140.93 -175.02 4.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.831 . . . . 0.0 110.3 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 9' ' ' ASN . 62.1 t -84.2 28.63 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.184 -0.948 . . . . 0.0 110.757 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 57.2 p30 -178.56 -158.94 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 0.0 109.989 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 9' ' ' ASN . 25.0 m -138.66 34.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.63 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -149.91 21.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.137 -0.977 . . . . 0.0 110.468 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.6 m 42.58 41.14 2.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.334 -0.854 . . . . 0.0 110.466 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 3.2 m -149.58 125.38 10.48 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.24 46.52 49.61 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -98.52 -153.82 0.44 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.562 -0.963 . . . . 0.0 110.08 -179.145 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.297 -1.694 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.189 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.299 0.571 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' ASP . 0.9 OUTLIER -168.22 63.25 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.204 -0.935 . . . . 0.0 110.086 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -55.93 -167.27 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.86 . . . . 0.0 110.427 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.5 p -167.01 40.05 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 2.5 tt0 -92.2 18.7 7.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -0.878 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 3.7 mt -140.43 50.65 1.68 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -133.19 -160.38 1.04 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.166 -0.959 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.508 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 2.9 t -65.68 -129.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 109.647 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 8' ' ' VAL . 6.4 p-10 -39.97 158.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.35 58.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.252 -0.905 . . . . 0.0 110.534 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HB2' ' OG1' ' A' ' 13' ' ' THR . . . -142.78 18.38 1.99 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.137 -0.977 . . . . 0.0 110.328 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' ALA . 56.2 m 38.11 31.25 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.779 -0.576 . . . . 0.0 110.858 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.461 ' OG1' ' HB2' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -136.88 108.27 6.88 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.256 -0.902 . . . . 0.0 109.58 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.36 34.0 37.76 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -95.09 -152.17 0.35 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.459 -1.024 . . . . 0.0 109.791 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD21 ' O ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.297 -1.696 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.106 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.597 0.713 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -152.28 38.49 0.56 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.601 -0.687 . . . . 0.0 110.193 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -120.15 165.2 15.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.297 -0.877 . . . . 0.0 110.165 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 p -141.1 45.75 1.76 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.156 -0.965 . . . . 0.0 110.213 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.33 17.36 9.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 0.0 109.968 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.422 ' N ' HD11 ' A' ' 6' ' ' LEU . 1.8 mp -129.72 8.67 5.35 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.43 0.634 . . . . 0.0 109.883 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -57.02 174.92 0.15 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -88.69 28.89 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 0.0 109.946 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -171.52 -143.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.429 -0.795 . . . . 0.0 109.767 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 89.6 t -134.65 43.07 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.0 110.316 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -149.14 23.36 0.94 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.089 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ALA . 58.6 m 40.49 26.97 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.546 -0.721 . . . . 0.0 110.659 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 13' ' ' THR . 98.9 m -123.23 22.12 9.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.149 -0.969 . . . . 0.0 109.796 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.9 46.4 0.7 Allowed Glycine 0 N--CA 1.486 1.979 0 N-CA-C 108.696 -1.761 . . . . 0.0 108.696 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 m -89.96 91.63 8.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.376 -1.073 . . . . 0.0 110.138 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.297 -1.683 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.072 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.191 0.52 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.19 17.54 6.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 109.97 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -126.53 48.28 2.17 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.682 -0.637 . . . . 0.0 109.749 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 65.0 m -114.6 -175.53 2.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.843 . . . . 0.0 110.375 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 8' ' ' VAL . 85.0 t -91.0 24.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.394 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -174.25 -145.08 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.61 -0.681 . . . . 0.0 109.611 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' VAL . 3.4 m -136.6 45.11 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.945 -1.097 . . . . 0.0 110.455 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' THR . . . -150.04 26.46 0.8 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.161 -0.962 . . . . 0.0 110.075 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t 45.84 25.12 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.438 -0.789 . . . . 0.0 109.821 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 11' ' ' ALA . 9.6 p -122.37 102.1 7.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 0.0 109.214 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 107.16 41.95 1.58 Allowed Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' O ' ' O ' ' A' ' 16' ' ' LEU . 39.6 m -89.9 92.89 9.2 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.509 -0.995 . . . . 0.0 110.305 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 15' ' ' CYS . 6.6 mt . . . . . 0 C--N 1.298 -1.648 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.292 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.624 ' O ' HG13 ' A' ' 10' ' ' VAL . 69.9 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.245 0.545 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.45 ' C ' HD12 ' A' ' 6' ' ' LEU . 4.7 tt0 -99.67 19.41 15.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.45 HD12 ' C ' ' A' ' 5' ' ' GLU . 2.1 mp -147.3 62.77 1.16 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.567 -0.708 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 9' ' ' ASN . 18.2 p -174.34 -167.32 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 92.2 t -57.48 83.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 74.76 173.62 0.26 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.628 -0.67 . . . . 0.0 109.975 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 4' ' ' CYS . 5.3 t -112.09 74.12 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 0.0 110.377 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -141.27 22.85 2.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.989 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' ALA . 55.7 m 40.24 36.92 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.573 -0.705 . . . . 0.0 110.505 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 11' ' ' ALA . 5.6 p -142.2 111.02 6.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 109.941 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.64 61.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.43 92.9 6.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -1.116 . . . . 0.0 110.175 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.298 -1.667 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.216 0.531 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -94.61 19.37 9.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.275 -0.891 . . . . 0.0 110.028 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 24.55 1.24 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.602 -0.686 . . . . 0.0 110.251 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 p -83.05 -148.15 0.09 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.96 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.57 ' CG2' HD13 ' A' ' 16' ' ' LEU . 23.9 t -80.44 16.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 111.579 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 40.7 p30 -178.62 -149.5 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.231 -0.918 . . . . 0.0 110.425 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.2 50.36 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.211 -0.931 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -147.77 14.22 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 110.55 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 39.59 48.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.58 -0.7 . . . . 0.0 110.248 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.35 110.66 7.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.246 -0.909 . . . . 0.0 110.575 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.05 39.98 94.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -96.32 -152.9 0.39 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.265 -1.138 . . . . 0.0 109.431 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.57 HD13 ' CG2' ' A' ' 8' ' ' VAL . 1.4 tp . . . . . 0 C--N 1.298 -1.664 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.119 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.434 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 25.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.25 0.548 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 26.8 tt0 -99.61 19.66 15.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.068 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 2.6 mt -163.85 62.72 0.16 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.655 -0.653 . . . . 0.0 110.206 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 15' ' ' CYS . 26.4 p -143.16 -164.12 1.78 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 110.162 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.23 54.11 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 110.391 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 177.54 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.186 -0.947 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 10' ' ' VAL . 8.7 p -137.26 31.92 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.293 -0.88 . . . . 0.0 110.217 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.95 26.17 1.25 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 110.106 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 0.5 OUTLIER 56.41 28.08 13.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.448 -0.782 . . . . 0.0 110.065 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.98 110.83 6.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.334 -0.854 . . . . 0.0 109.641 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.19 41.88 3.63 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 57.6 m -102.87 94.08 5.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.477 -1.013 . . . . 0.0 110.2 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 20.9 p . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.216 0.531 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 5' ' ' GLU . 32.5 tt0 -92.13 17.86 8.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.372 -0.83 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.11 57.3 1.55 Allowed 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.661 -0.649 . . . . 0.0 110.155 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 9' ' ' ASN . 19.1 p -144.64 -144.0 0.15 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 0.0 110.116 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 8' ' ' VAL . 52.9 t -87.94 22.94 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.96 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.6 p-10 171.77 172.52 0.09 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.506 -0.747 . . . . 0.0 109.997 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 10' ' ' VAL . 61.6 t -120.83 53.9 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 0.0 110.09 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.34 26.45 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.182 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.8 m 46.48 36.35 3.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.449 -0.782 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p -149.84 109.35 4.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 0.0 110.083 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.34 37.83 6.11 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 m -97.88 92.33 5.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -1.115 . . . . 0.0 110.086 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.21 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.252 0.548 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.682 ' C ' HD23 ' A' ' 6' ' ' LEU . 20.4 mt-10 -100.04 18.12 19.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -160.64 63.53 0.31 Allowed 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.461 -0.775 . . . . 0.0 110.218 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.4 p -159.18 178.13 10.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 110.107 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.519 ' HB ' ' HA ' ' A' ' 15' ' ' CYS . 95.4 t -42.13 92.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.55 -0.719 . . . . 0.0 110.145 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 73.29 158.19 0.2 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.72 -0.612 . . . . 0.0 109.647 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 10' ' ' VAL . 8.8 p -111.59 75.71 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.168 -0.957 . . . . 0.0 110.488 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -136.52 21.97 3.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.27 -0.894 . . . . 0.0 109.855 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER 39.54 27.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.687 -0.633 . . . . 0.0 110.771 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -159.27 27.84 0.2 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.022 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -162.17 30.87 0.3 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 95.7 m -103.8 93.76 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -1.048 . . . . 0.0 110.227 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.278 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 27.5 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.278 0.561 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -95.82 18.29 13.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.238 -0.913 . . . . 0.0 110.029 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 2.0 mp -138.62 16.68 2.71 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.95 -168.39 1.91 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.212 -0.93 . . . . 0.0 110.208 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 8' ' ' VAL . 45.1 t -86.57 33.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.187 -0.945 . . . . 0.0 110.592 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 11' ' ' ALA . 2.4 p30 -169.52 -160.11 0.24 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.226 -0.921 . . . . 0.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.33 33.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.4 ' N ' ' OD1' ' A' ' 9' ' ' ASN . . . -147.03 25.99 1.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.096 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 51.68 20.78 1.18 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 13' ' ' THR . 99.0 m -123.92 25.73 7.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.229 -0.919 . . . . 0.0 109.766 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -151.57 45.04 0.64 Allowed Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.94 91.39 8.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.506 -0.997 . . . . 0.0 110.418 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.298 -1.637 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.172 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.22 0.533 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 3.7 tp10 -93.97 18.97 9.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.27 -0.894 . . . . 0.0 109.854 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 1.2 mp -152.19 50.87 0.78 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.379 0.609 . . . . 0.0 109.442 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -140.93 -175.02 4.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.831 . . . . 0.0 110.3 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 8' ' ' VAL . 62.1 t -84.2 28.63 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.184 -0.948 . . . . 0.0 110.757 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 57.2 p30 -178.56 -158.94 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 0.0 109.989 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 m -138.66 34.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.63 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -149.91 21.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.137 -0.977 . . . . 0.0 110.468 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.6 m 42.58 41.14 2.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.334 -0.854 . . . . 0.0 110.466 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 3.2 m -149.58 125.38 10.48 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.24 46.52 49.61 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -98.52 -153.82 0.44 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.562 -0.963 . . . . 0.0 110.08 -179.145 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.297 -1.694 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.189 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.314 0.578 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 2.5 tt0 -92.2 18.7 7.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -0.878 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 3.7 mt -140.43 50.65 1.68 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -133.19 -160.38 1.04 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.166 -0.959 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.508 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 2.9 t -65.68 -129.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 109.647 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 8' ' ' VAL . 6.4 p-10 -39.97 158.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.35 58.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.252 -0.905 . . . . 0.0 110.534 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -142.78 18.38 1.99 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.137 -0.977 . . . . 0.0 110.328 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' ALA . 56.2 m 38.11 31.25 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.779 -0.576 . . . . 0.0 110.858 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -136.88 108.27 6.88 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.256 -0.902 . . . . 0.0 109.58 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.36 34.0 37.76 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -95.09 -152.17 0.35 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.459 -1.024 . . . . 0.0 109.791 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.297 -1.696 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.106 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.289 0.566 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.33 17.36 9.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 0.0 109.968 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 6' ' ' LEU . 1.8 mp -129.72 8.67 5.35 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.43 0.634 . . . . 0.0 109.883 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -57.02 174.92 0.15 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 8' ' ' VAL . 60.5 t -88.69 28.89 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 0.0 109.946 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -171.52 -143.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.429 -0.795 . . . . 0.0 109.767 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.738 ' O ' HG12 ' A' ' 10' ' ' VAL . 89.6 t -134.65 43.07 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.0 110.316 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -149.14 23.36 0.94 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.089 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ALA . 58.6 m 40.49 26.97 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.546 -0.721 . . . . 0.0 110.659 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 13' ' ' THR . 98.9 m -123.23 22.12 9.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.149 -0.969 . . . . 0.0 109.796 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.9 46.4 0.7 Allowed Glycine 0 N--CA 1.486 1.979 0 N-CA-C 108.696 -1.761 . . . . 0.0 108.696 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 m -89.96 91.63 8.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.376 -1.073 . . . . 0.0 110.138 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.297 -1.683 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.072 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.264 0.554 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -91.25 29.53 1.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 0.0 110.183 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.05 27.57 8.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 0.0 110.003 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER 49.35 43.31 23.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.366 -0.834 . . . . 0.0 110.304 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.19 17.54 6.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 109.97 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -126.53 48.28 2.17 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.682 -0.637 . . . . 0.0 109.749 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 65.0 m -114.6 -175.53 2.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.843 . . . . 0.0 110.375 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 8' ' ' VAL . 85.0 t -91.0 24.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.394 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -174.25 -145.08 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.61 -0.681 . . . . 0.0 109.611 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' VAL . 3.4 m -136.6 45.11 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.945 -1.097 . . . . 0.0 110.455 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' THR . . . -150.04 26.46 0.8 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.161 -0.962 . . . . 0.0 110.075 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t 45.84 25.12 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.438 -0.789 . . . . 0.0 109.821 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 11' ' ' ALA . 9.6 p -122.37 102.1 7.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 0.0 109.214 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 107.16 41.95 1.58 Allowed Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' O ' ' O ' ' A' ' 16' ' ' LEU . 39.6 m -89.9 92.89 9.2 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.509 -0.995 . . . . 0.0 110.305 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 15' ' ' CYS . 6.6 mt . . . . . 0 C--N 1.298 -1.648 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.292 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.249 0.547 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.3 46.45 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.227 -0.921 . . . . 0.0 110.252 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 13.0 p-10 -114.08 99.43 7.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.177 -0.952 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.624 ' O ' HG13 ' A' ' 10' ' ' VAL . 69.9 m 42.98 29.98 0.22 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.0 110.158 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' C ' HD12 ' A' ' 6' ' ' LEU . 4.7 tt0 -99.67 19.41 15.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.45 HD12 ' C ' ' A' ' 5' ' ' GLU . 2.1 mp -147.3 62.77 1.16 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.567 -0.708 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 9' ' ' ASN . 18.2 p -174.34 -167.32 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 92.2 t -57.48 83.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 74.76 173.62 0.26 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.628 -0.67 . . . . 0.0 109.975 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 4' ' ' CYS . 5.3 t -112.09 74.12 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 0.0 110.377 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -141.27 22.85 2.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.989 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' ALA . 55.7 m 40.24 36.92 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.573 -0.705 . . . . 0.0 110.505 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 11' ' ' ALA . 5.6 p -142.2 111.02 6.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 109.941 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.64 61.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.43 92.9 6.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -1.116 . . . . 0.0 110.175 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.298 -1.667 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.183 0.516 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -130.54 49.46 2.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 3.0 p30 -56.2 177.6 0.06 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.207 -0.933 . . . . 0.0 110.17 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 3' ' ' ASP . 28.2 p -177.82 45.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -94.61 19.37 9.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.275 -0.891 . . . . 0.0 110.028 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 24.55 1.24 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.602 -0.686 . . . . 0.0 110.251 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 p -83.05 -148.15 0.09 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.96 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.57 ' CG2' HD13 ' A' ' 16' ' ' LEU . 23.9 t -80.44 16.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 111.579 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 40.7 p30 -178.62 -149.5 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.231 -0.918 . . . . 0.0 110.425 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.2 50.36 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.211 -0.931 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -147.77 14.22 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 110.55 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 39.59 48.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.58 -0.7 . . . . 0.0 110.248 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.35 110.66 7.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.246 -0.909 . . . . 0.0 110.575 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.05 39.98 94.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -96.32 -152.9 0.39 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.265 -1.138 . . . . 0.0 109.431 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.57 HD13 ' CG2' ' A' ' 8' ' ' VAL . 1.4 tp . . . . . 0 C--N 1.298 -1.664 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.119 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' ASP . 5.6 p-10 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.249 0.547 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' ASN . 0.4 OUTLIER 44.08 32.93 0.71 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.223 -0.923 . . . . 0.0 110.045 -179.881 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 55.39 -175.74 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 110.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.434 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 25.3 p -80.54 49.57 1.18 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 110.265 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 26.8 tt0 -99.61 19.66 15.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.068 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 2.6 mt -163.85 62.72 0.16 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.655 -0.653 . . . . 0.0 110.206 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 15' ' ' CYS . 26.4 p -143.16 -164.12 1.78 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 110.162 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.23 54.11 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 110.391 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 177.54 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.186 -0.947 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 10' ' ' VAL . 8.7 p -137.26 31.92 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.293 -0.88 . . . . 0.0 110.217 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.95 26.17 1.25 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 110.106 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 0.5 OUTLIER 56.41 28.08 13.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.448 -0.782 . . . . 0.0 110.065 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.98 110.83 6.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.334 -0.854 . . . . 0.0 109.641 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.19 41.88 3.63 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 57.6 m -102.87 94.08 5.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.477 -1.013 . . . . 0.0 110.2 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.2 m120 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.271 0.558 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -171.09 55.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -135.16 -174.99 3.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.208 -0.932 . . . . 0.0 110.158 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 20.9 p -115.85 30.41 7.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.188 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 5' ' ' GLU . 32.5 tt0 -92.13 17.86 8.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.372 -0.83 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.11 57.3 1.55 Allowed 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.661 -0.649 . . . . 0.0 110.155 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 9' ' ' ASN . 19.1 p -144.64 -144.0 0.15 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 0.0 110.116 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 8' ' ' VAL . 52.9 t -87.94 22.94 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.96 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.6 p-10 171.77 172.52 0.09 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.506 -0.747 . . . . 0.0 109.997 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 10' ' ' VAL . 61.6 t -120.83 53.9 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 0.0 110.09 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.34 26.45 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.182 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.8 m 46.48 36.35 3.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.449 -0.782 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p -149.84 109.35 4.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 0.0 110.083 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.34 37.83 6.11 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 m -97.88 92.33 5.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -1.115 . . . . 0.0 110.086 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.21 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.335 0.588 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.65 45.89 2.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.945 . . . . 0.0 110.1 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -104.67 176.2 5.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -0.913 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.91 43.95 1.87 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.334 -0.853 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.682 ' C ' HD23 ' A' ' 6' ' ' LEU . 20.4 mt-10 -100.04 18.12 19.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -160.64 63.53 0.31 Allowed 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.461 -0.775 . . . . 0.0 110.218 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.4 p -159.18 178.13 10.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 110.107 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' HB ' ' HA ' ' A' ' 15' ' ' CYS . 95.4 t -42.13 92.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.55 -0.719 . . . . 0.0 110.145 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 73.29 158.19 0.2 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.72 -0.612 . . . . 0.0 109.647 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 10' ' ' VAL . 8.8 p -111.59 75.71 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.168 -0.957 . . . . 0.0 110.488 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -136.52 21.97 3.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.27 -0.894 . . . . 0.0 109.855 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER 39.54 27.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.687 -0.633 . . . . 0.0 110.771 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -159.27 27.84 0.2 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.022 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -162.17 30.87 0.3 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 95.7 m -103.8 93.76 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -1.048 . . . . 0.0 110.227 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.278 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.232 0.539 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -116.61 33.22 5.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.086 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.81 -170.15 2.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.33 -0.856 . . . . 0.0 110.267 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 27.5 p -108.38 59.69 0.61 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.253 -0.905 . . . . 0.0 110.188 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -95.82 18.29 13.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.238 -0.913 . . . . 0.0 110.029 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 2.0 mp -138.62 16.68 2.71 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.95 -168.39 1.91 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.212 -0.93 . . . . 0.0 110.208 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 8' ' ' VAL . 45.1 t -86.57 33.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.187 -0.945 . . . . 0.0 110.592 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 11' ' ' ALA . 2.4 p30 -169.52 -160.11 0.24 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.226 -0.921 . . . . 0.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.33 33.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.4 ' N ' ' OD1' ' A' ' 9' ' ' ASN . . . -147.03 25.99 1.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.096 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 51.68 20.78 1.18 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 13' ' ' THR . 99.0 m -123.92 25.73 7.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.229 -0.919 . . . . 0.0 109.766 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -151.57 45.04 0.64 Allowed Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.94 91.39 8.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.506 -0.997 . . . . 0.0 110.418 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.298 -1.637 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.172 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.0 m120 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.351 0.596 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -127.48 41.55 3.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.194 -0.941 . . . . 0.0 110.245 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -125.69 -165.85 1.48 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.211 -0.931 . . . . 0.0 110.283 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -94.31 65.86 3.34 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.285 -0.885 . . . . 0.0 110.334 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 3.7 tp10 -93.97 18.97 9.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.27 -0.894 . . . . 0.0 109.854 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 1.2 mp -152.19 50.87 0.78 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.379 0.609 . . . . 0.0 109.442 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -140.93 -175.02 4.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.831 . . . . 0.0 110.3 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 8' ' ' VAL . 62.1 t -84.2 28.63 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.184 -0.948 . . . . 0.0 110.757 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 57.2 p30 -178.56 -158.94 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 0.0 109.989 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 m -138.66 34.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.63 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -149.91 21.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.137 -0.977 . . . . 0.0 110.468 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.6 m 42.58 41.14 2.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.334 -0.854 . . . . 0.0 110.466 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 3.2 m -149.58 125.38 10.48 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.24 46.52 49.61 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -98.52 -153.82 0.44 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.562 -0.963 . . . . 0.0 110.08 -179.145 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.297 -1.694 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.189 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.299 0.571 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' ASP . 0.9 OUTLIER -168.22 63.25 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.204 -0.935 . . . . 0.0 110.086 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -55.93 -167.27 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.86 . . . . 0.0 110.427 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.5 p -167.01 40.05 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 2.5 tt0 -92.2 18.7 7.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -0.878 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 3.7 mt -140.43 50.65 1.68 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -133.19 -160.38 1.04 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.166 -0.959 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.508 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 2.9 t -65.68 -129.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 109.647 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 8' ' ' VAL . 6.4 p-10 -39.97 158.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.35 58.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.252 -0.905 . . . . 0.0 110.534 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -142.78 18.38 1.99 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.137 -0.977 . . . . 0.0 110.328 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' ALA . 56.2 m 38.11 31.25 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.779 -0.576 . . . . 0.0 110.858 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -136.88 108.27 6.88 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.256 -0.902 . . . . 0.0 109.58 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.36 34.0 37.76 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -95.09 -152.17 0.35 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.459 -1.024 . . . . 0.0 109.791 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.297 -1.696 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.106 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.597 0.713 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -152.28 38.49 0.56 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.601 -0.687 . . . . 0.0 110.193 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -120.15 165.2 15.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.297 -0.877 . . . . 0.0 110.165 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 p -141.1 45.75 1.76 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.156 -0.965 . . . . 0.0 110.213 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.33 17.36 9.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 0.0 109.968 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 6' ' ' LEU . 1.8 mp -129.72 8.67 5.35 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.43 0.634 . . . . 0.0 109.883 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -57.02 174.92 0.15 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 8' ' ' VAL . 60.5 t -88.69 28.89 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 0.0 109.946 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -171.52 -143.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.429 -0.795 . . . . 0.0 109.767 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.738 ' O ' HG12 ' A' ' 10' ' ' VAL . 89.6 t -134.65 43.07 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.0 110.316 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -149.14 23.36 0.94 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.089 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ALA . 58.6 m 40.49 26.97 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.546 -0.721 . . . . 0.0 110.659 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 13' ' ' THR . 98.9 m -123.23 22.12 9.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.149 -0.969 . . . . 0.0 109.796 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.9 46.4 0.7 Allowed Glycine 0 N--CA 1.486 1.979 0 N-CA-C 108.696 -1.761 . . . . 0.0 108.696 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 m -89.96 91.63 8.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.376 -1.073 . . . . 0.0 110.138 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.297 -1.683 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.072 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.191 0.52 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.19 17.54 6.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 109.97 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -126.53 48.28 2.17 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.682 -0.637 . . . . 0.0 109.749 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 65.0 m -114.6 -175.53 2.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.843 . . . . 0.0 110.375 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.716 ' O ' HG12 ' A' ' 8' ' ' VAL . 85.0 t -91.0 24.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.394 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -174.25 -145.08 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.61 -0.681 . . . . 0.0 109.611 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.642 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.4 m -136.6 45.11 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.945 -1.097 . . . . 0.0 110.455 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' THR . . . -150.04 26.46 0.8 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.161 -0.962 . . . . 0.0 110.075 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t 45.84 25.12 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.438 -0.789 . . . . 0.0 109.821 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 11' ' ' ALA . 9.6 p -122.37 102.1 7.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 0.0 109.214 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 107.16 41.95 1.58 Allowed Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' O ' ' O ' ' A' ' 16' ' ' LEU . 39.6 m -89.9 92.89 9.2 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.509 -0.995 . . . . 0.0 110.305 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 15' ' ' CYS . 6.6 mt . . . . . 0 C--N 1.298 -1.648 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.292 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.624 ' O ' HG13 ' A' ' 10' ' ' VAL . 69.9 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.245 0.545 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.45 ' C ' HD12 ' A' ' 6' ' ' LEU . 4.7 tt0 -99.67 19.41 15.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.45 HD12 ' C ' ' A' ' 5' ' ' GLU . 2.1 mp -147.3 62.77 1.16 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.567 -0.708 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 9' ' ' ASN . 18.2 p -174.34 -167.32 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 92.2 t -57.48 83.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 74.76 173.62 0.26 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.628 -0.67 . . . . 0.0 109.975 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 4' ' ' CYS . 5.3 t -112.09 74.12 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 0.0 110.377 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -141.27 22.85 2.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.989 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' ALA . 55.7 m 40.24 36.92 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.573 -0.705 . . . . 0.0 110.505 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 11' ' ' ALA . 5.6 p -142.2 111.02 6.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 109.941 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.64 61.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.43 92.9 6.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -1.116 . . . . 0.0 110.175 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.298 -1.667 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.216 0.531 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -94.61 19.37 9.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.275 -0.891 . . . . 0.0 110.028 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 24.55 1.24 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.602 -0.686 . . . . 0.0 110.251 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 p -83.05 -148.15 0.09 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.96 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.57 ' CG2' HD13 ' A' ' 16' ' ' LEU . 23.9 t -80.44 16.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 111.579 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 40.7 p30 -178.62 -149.5 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.231 -0.918 . . . . 0.0 110.425 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.2 50.36 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.211 -0.931 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -147.77 14.22 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 110.55 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 39.59 48.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.58 -0.7 . . . . 0.0 110.248 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.35 110.66 7.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.246 -0.909 . . . . 0.0 110.575 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.05 39.98 94.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -96.32 -152.9 0.39 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.265 -1.138 . . . . 0.0 109.431 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.57 HD13 ' CG2' ' A' ' 8' ' ' VAL . 1.4 tp . . . . . 0 C--N 1.298 -1.664 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.119 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.434 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 25.3 p . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.25 0.548 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 26.8 tt0 -99.61 19.66 15.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.068 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 2.6 mt -163.85 62.72 0.16 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.655 -0.653 . . . . 0.0 110.206 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 15' ' ' CYS . 26.4 p -143.16 -164.12 1.78 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 110.162 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.23 54.11 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 110.391 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 177.54 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.186 -0.947 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 10' ' ' VAL . 8.7 p -137.26 31.92 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.293 -0.88 . . . . 0.0 110.217 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.95 26.17 1.25 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 110.106 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 0.5 OUTLIER 56.41 28.08 13.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.448 -0.782 . . . . 0.0 110.065 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.98 110.83 6.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.334 -0.854 . . . . 0.0 109.641 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.19 41.88 3.63 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 57.6 m -102.87 94.08 5.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.477 -1.013 . . . . 0.0 110.2 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 20.9 p . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.216 0.531 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 32.5 tt0 -92.13 17.86 8.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.372 -0.83 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.11 57.3 1.55 Allowed 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.661 -0.649 . . . . 0.0 110.155 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 9' ' ' ASN . 19.1 p -144.64 -144.0 0.15 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 0.0 110.116 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 8' ' ' VAL . 52.9 t -87.94 22.94 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.96 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.6 p-10 171.77 172.52 0.09 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.506 -0.747 . . . . 0.0 109.997 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 10' ' ' VAL . 61.6 t -120.83 53.9 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 0.0 110.09 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.34 26.45 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.182 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.8 m 46.48 36.35 3.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.449 -0.782 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p -149.84 109.35 4.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 0.0 110.083 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.34 37.83 6.11 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 m -97.88 92.33 5.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -1.115 . . . . 0.0 110.086 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.21 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.252 0.548 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.682 ' C ' HD23 ' A' ' 6' ' ' LEU . 20.4 mt-10 -100.04 18.12 19.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -160.64 63.53 0.31 Allowed 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.461 -0.775 . . . . 0.0 110.218 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.4 p -159.18 178.13 10.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 110.107 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.519 ' HB ' ' HA ' ' A' ' 15' ' ' CYS . 95.4 t -42.13 92.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.55 -0.719 . . . . 0.0 110.145 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 73.29 158.19 0.2 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.72 -0.612 . . . . 0.0 109.647 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 10' ' ' VAL . 8.8 p -111.59 75.71 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.168 -0.957 . . . . 0.0 110.488 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -136.52 21.97 3.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.27 -0.894 . . . . 0.0 109.855 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER 39.54 27.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.687 -0.633 . . . . 0.0 110.771 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -159.27 27.84 0.2 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.022 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -162.17 30.87 0.3 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 95.7 m -103.8 93.76 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -1.048 . . . . 0.0 110.227 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.278 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 4' ' ' CYS . 27.5 p . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.278 0.561 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -95.82 18.29 13.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.238 -0.913 . . . . 0.0 110.029 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 2.0 mp -138.62 16.68 2.71 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.95 -168.39 1.91 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.212 -0.93 . . . . 0.0 110.208 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.632 ' O ' HG12 ' A' ' 8' ' ' VAL . 45.1 t -86.57 33.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.187 -0.945 . . . . 0.0 110.592 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 11' ' ' ALA . 2.4 p30 -169.52 -160.11 0.24 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.226 -0.921 . . . . 0.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.33 33.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.4 ' N ' ' OD1' ' A' ' 9' ' ' ASN . . . -147.03 25.99 1.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.096 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 51.68 20.78 1.18 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 13' ' ' THR . 99.0 m -123.92 25.73 7.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.229 -0.919 . . . . 0.0 109.766 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -151.57 45.04 0.64 Allowed Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.94 91.39 8.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.506 -0.997 . . . . 0.0 110.418 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.298 -1.637 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.172 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.22 0.533 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 3.7 tp10 -93.97 18.97 9.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.27 -0.894 . . . . 0.0 109.854 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 1.2 mp -152.19 50.87 0.78 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.379 0.609 . . . . 0.0 109.442 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -140.93 -175.02 4.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.831 . . . . 0.0 110.3 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 8' ' ' VAL . 62.1 t -84.2 28.63 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.184 -0.948 . . . . 0.0 110.757 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 57.2 p30 -178.56 -158.94 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 0.0 109.989 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 m -138.66 34.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.63 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -149.91 21.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.137 -0.977 . . . . 0.0 110.468 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.6 m 42.58 41.14 2.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.334 -0.854 . . . . 0.0 110.466 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 3.2 m -149.58 125.38 10.48 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.24 46.52 49.61 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -98.52 -153.82 0.44 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.562 -0.963 . . . . 0.0 110.08 -179.145 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.297 -1.694 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.189 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.314 0.578 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 2.5 tt0 -92.2 18.7 7.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -0.878 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 3.7 mt -140.43 50.65 1.68 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -133.19 -160.38 1.04 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.166 -0.959 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.508 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 2.9 t -65.68 -129.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 109.647 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 8' ' ' VAL . 6.4 p-10 -39.97 158.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.35 58.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.252 -0.905 . . . . 0.0 110.534 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -142.78 18.38 1.99 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.137 -0.977 . . . . 0.0 110.328 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' ALA . 56.2 m 38.11 31.25 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.779 -0.576 . . . . 0.0 110.858 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -136.88 108.27 6.88 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.256 -0.902 . . . . 0.0 109.58 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.36 34.0 37.76 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -95.09 -152.17 0.35 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.459 -1.024 . . . . 0.0 109.791 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.459 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.297 -1.696 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.106 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.289 0.566 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.33 17.36 9.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 0.0 109.968 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 6' ' ' LEU . 1.8 mp -129.72 8.67 5.35 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.43 0.634 . . . . 0.0 109.883 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -57.02 174.92 0.15 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 8' ' ' VAL . 60.5 t -88.69 28.89 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 0.0 109.946 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -171.52 -143.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.429 -0.795 . . . . 0.0 109.767 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.738 ' O ' HG12 ' A' ' 10' ' ' VAL . 89.6 t -134.65 43.07 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.0 110.316 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -149.14 23.36 0.94 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.089 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ALA . 58.6 m 40.49 26.97 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.546 -0.721 . . . . 0.0 110.659 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.651 ' O ' HG22 ' A' ' 13' ' ' THR . 98.9 m -123.23 22.12 9.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.149 -0.969 . . . . 0.0 109.796 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.9 46.4 0.7 Allowed Glycine 0 N--CA 1.486 1.979 0 N-CA-C 108.696 -1.761 . . . . 0.0 108.696 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 m -89.96 91.63 8.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.376 -1.073 . . . . 0.0 110.138 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.297 -1.683 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.072 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.264 0.554 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -91.25 29.53 1.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 0.0 110.183 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.05 27.57 8.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 0.0 110.003 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER 49.35 43.31 23.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.366 -0.834 . . . . 0.0 110.304 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.19 17.54 6.94 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.165 -0.96 . . . . 0.0 109.97 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt -126.53 48.28 2.17 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.682 -0.637 . . . . 0.0 109.749 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.488 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 65.0 m -114.6 -175.53 2.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.352 -0.843 . . . . 0.0 110.375 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.716 ' O ' HG12 ' A' ' 8' ' ' VAL . 85.0 t -91.0 24.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.39 -0.819 . . . . 0.0 109.394 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -174.25 -145.08 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.61 -0.681 . . . . 0.0 109.611 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.642 ' O ' HG23 ' A' ' 10' ' ' VAL . 3.4 m -136.6 45.11 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.945 -1.097 . . . . 0.0 110.455 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' THR . . . -150.04 26.46 0.8 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.161 -0.962 . . . . 0.0 110.075 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t 45.84 25.12 0.27 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.438 -0.789 . . . . 0.0 109.821 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 11' ' ' ALA . 9.6 p -122.37 102.1 7.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.426 -0.797 . . . . 0.0 109.214 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . 107.16 41.95 1.58 Allowed Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.261 -1.936 . . . . 0.0 108.261 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' O ' ' O ' ' A' ' 16' ' ' LEU . 39.6 m -89.9 92.89 9.2 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.509 -0.995 . . . . 0.0 110.305 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' O ' ' O ' ' A' ' 15' ' ' CYS . 6.6 mt . . . . . 0 C--N 1.298 -1.648 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.292 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.249 0.547 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.3 46.45 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.227 -0.921 . . . . 0.0 110.252 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 13.0 p-10 -114.08 99.43 7.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.177 -0.952 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.624 ' O ' HG13 ' A' ' 10' ' ' VAL . 69.9 m 42.98 29.98 0.22 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.226 -0.921 . . . . 0.0 110.158 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' C ' HD12 ' A' ' 6' ' ' LEU . 4.7 tt0 -99.67 19.41 15.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.45 HD12 ' C ' ' A' ' 5' ' ' GLU . 2.1 mp -147.3 62.77 1.16 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.567 -0.708 . . . . 0.0 110.249 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 9' ' ' ASN . 18.2 p -174.34 -167.32 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 9' ' ' ASN . 92.2 t -57.48 83.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER 74.76 173.62 0.26 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.628 -0.67 . . . . 0.0 109.975 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 4' ' ' CYS . 5.3 t -112.09 74.12 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.24 -0.912 . . . . 0.0 110.377 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -141.27 22.85 2.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.221 -0.925 . . . . 0.0 109.989 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' ALA . 55.7 m 40.24 36.92 0.36 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.573 -0.705 . . . . 0.0 110.505 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 11' ' ' ALA . 5.6 p -142.2 111.02 6.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 109.941 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.64 61.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.43 92.9 6.53 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -1.116 . . . . 0.0 110.175 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.298 -1.667 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.183 0.516 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -130.54 49.46 2.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 0.0 110.302 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 4' ' ' CYS . 3.0 p30 -56.2 177.6 0.06 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.207 -0.933 . . . . 0.0 110.17 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 3' ' ' ASP . 28.2 p -177.82 45.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 0.0 110.327 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -94.61 19.37 9.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.275 -0.891 . . . . 0.0 110.028 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.49 24.55 1.24 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.602 -0.686 . . . . 0.0 110.251 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.9 p -83.05 -148.15 0.09 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.96 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.57 ' CG2' HD13 ' A' ' 16' ' ' LEU . 23.9 t -80.44 16.03 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 111.579 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 40.7 p30 -178.62 -149.5 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.231 -0.918 . . . . 0.0 110.425 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.2 50.36 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.211 -0.931 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -147.77 14.22 1.05 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.12 -0.987 . . . . 0.0 110.55 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER 39.59 48.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.58 -0.7 . . . . 0.0 110.248 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.35 110.66 7.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.246 -0.909 . . . . 0.0 110.575 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.05 39.98 94.99 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -96.32 -152.9 0.39 Allowed 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.265 -1.138 . . . . 0.0 109.431 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.57 HD13 ' CG2' ' A' ' 8' ' ' VAL . 1.4 tp . . . . . 0 C--N 1.298 -1.664 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.119 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 2' ' ' ASP . 3.7 p30 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.249 0.547 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 1' ' ' ASN . 0.4 OUTLIER 44.08 32.93 0.71 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.223 -0.923 . . . . 0.0 110.045 -179.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 55.39 -175.74 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 110.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.434 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 25.3 p -80.54 49.57 1.18 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.244 -0.91 . . . . 0.0 110.265 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 26.8 tt0 -99.61 19.66 15.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.26 -0.9 . . . . 0.0 110.068 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 2.6 mt -163.85 62.72 0.16 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.655 -0.653 . . . . 0.0 110.206 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 15' ' ' CYS . 26.4 p -143.16 -164.12 1.78 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.317 -0.864 . . . . 0.0 110.162 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.23 54.11 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.124 -0.985 . . . . 0.0 110.391 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 177.54 0.32 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.186 -0.947 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 10' ' ' VAL . 8.7 p -137.26 31.92 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.293 -0.88 . . . . 0.0 110.217 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.95 26.17 1.25 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 110.106 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 0.5 OUTLIER 56.41 28.08 13.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.448 -0.782 . . . . 0.0 110.065 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.98 110.83 6.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.334 -0.854 . . . . 0.0 109.641 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.19 41.88 3.63 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 57.6 m -102.87 94.08 5.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.477 -1.013 . . . . 0.0 110.2 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.271 0.558 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -171.09 55.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -135.16 -174.99 3.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.208 -0.932 . . . . 0.0 110.158 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 20.9 p -115.85 30.41 7.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.188 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 32.5 tt0 -92.13 17.86 8.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.372 -0.83 . . . . 0.0 110.071 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.11 57.3 1.55 Allowed 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.661 -0.649 . . . . 0.0 110.155 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 9' ' ' ASN . 19.1 p -144.64 -144.0 0.15 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.312 -0.868 . . . . 0.0 110.116 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 8' ' ' VAL . 52.9 t -87.94 22.94 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.165 -0.96 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.6 p-10 171.77 172.52 0.09 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.506 -0.747 . . . . 0.0 109.997 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 10' ' ' VAL . 61.6 t -120.83 53.9 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 0.0 110.09 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.34 26.45 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.182 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.8 m 46.48 36.35 3.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.449 -0.782 . . . . 0.0 110.242 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.1 p -149.84 109.35 4.0 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 0.0 110.083 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.34 37.83 6.11 Favored Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.8 m -97.88 92.33 5.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -1.115 . . . . 0.0 110.086 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.21 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.335 0.588 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.65 45.89 2.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.945 . . . . 0.0 110.1 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -104.67 176.2 5.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -0.913 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p -114.91 43.95 1.87 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.334 -0.853 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.682 ' C ' HD23 ' A' ' 6' ' ' LEU . 20.4 mt-10 -100.04 18.12 19.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.392 -0.817 . . . . 0.0 110.328 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 5' ' ' GLU . 0.2 OUTLIER -160.64 63.53 0.31 Allowed 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.461 -0.775 . . . . 0.0 110.218 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.4 p -159.18 178.13 10.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.286 -0.884 . . . . 0.0 110.107 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' HB ' ' HA ' ' A' ' 15' ' ' CYS . 95.4 t -42.13 92.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.55 -0.719 . . . . 0.0 110.145 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 73.29 158.19 0.2 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.72 -0.612 . . . . 0.0 109.647 -179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 10' ' ' VAL . 8.8 p -111.59 75.71 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.168 -0.957 . . . . 0.0 110.488 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -136.52 21.97 3.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.27 -0.894 . . . . 0.0 109.855 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ALA . 1.0 OUTLIER 39.54 27.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.687 -0.633 . . . . 0.0 110.771 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -159.27 27.84 0.2 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.231 -0.918 . . . . 0.0 110.022 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -162.17 30.87 0.3 Allowed Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.658 -1.777 . . . . 0.0 108.658 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 95.7 m -103.8 93.76 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -1.048 . . . . 0.0 110.227 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.278 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.232 0.539 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -116.61 33.22 5.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.086 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.81 -170.15 2.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.33 -0.856 . . . . 0.0 110.267 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 4' ' ' CYS . 27.5 p -108.38 59.69 0.61 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.253 -0.905 . . . . 0.0 110.188 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -95.82 18.29 13.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.238 -0.913 . . . . 0.0 110.029 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 2.0 mp -138.62 16.68 2.71 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -81.95 -168.39 1.91 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.212 -0.93 . . . . 0.0 110.208 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.632 ' O ' HG12 ' A' ' 8' ' ' VAL . 45.1 t -86.57 33.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.187 -0.945 . . . . 0.0 110.592 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 11' ' ' ALA . 2.4 p30 -169.52 -160.11 0.24 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.226 -0.921 . . . . 0.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 m -140.33 33.16 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.308 -0.87 . . . . 0.0 110.21 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.4 ' N ' ' OD1' ' A' ' 9' ' ' ASN . . . -147.03 25.99 1.11 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.0 110.096 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 51.68 20.78 1.18 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.425 -0.797 . . . . 0.0 110.421 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 13' ' ' THR . 99.0 m -123.92 25.73 7.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.229 -0.919 . . . . 0.0 109.766 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . -151.57 45.04 0.64 Allowed Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 m -89.94 91.39 8.57 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.506 -0.997 . . . . 0.0 110.418 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.298 -1.637 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.172 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.0 m120 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.351 0.596 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -127.48 41.55 3.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.194 -0.941 . . . . 0.0 110.245 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -125.69 -165.85 1.48 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.211 -0.931 . . . . 0.0 110.283 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -94.31 65.86 3.34 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.285 -0.885 . . . . 0.0 110.334 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 3.7 tp10 -93.97 18.97 9.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.27 -0.894 . . . . 0.0 109.854 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 1.2 mp -152.19 50.87 0.78 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-O 121.379 0.609 . . . . 0.0 109.442 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 t -140.93 -175.02 4.15 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.371 -0.831 . . . . 0.0 110.3 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 8' ' ' VAL . 62.1 t -84.2 28.63 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.184 -0.948 . . . . 0.0 110.757 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 57.2 p30 -178.56 -158.94 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.205 -0.934 . . . . 0.0 109.989 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 m -138.66 34.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.116 -0.99 . . . . 0.0 110.63 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.448 ' O ' ' OG1' ' A' ' 13' ' ' THR . . . -149.91 21.72 0.88 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.137 -0.977 . . . . 0.0 110.468 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.6 m 42.58 41.14 2.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.334 -0.854 . . . . 0.0 110.466 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 3.2 m -149.58 125.38 10.48 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.358 -0.839 . . . . 0.0 108.933 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.24 46.52 49.61 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 108.195 -1.962 . . . . 0.0 108.195 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' OD1' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -98.52 -153.82 0.44 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.562 -0.963 . . . . 0.0 110.08 -179.145 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.297 -1.694 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.189 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.299 0.571 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 3' ' ' ASP . 0.9 OUTLIER -168.22 63.25 0.07 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.204 -0.935 . . . . 0.0 110.086 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -55.93 -167.27 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.323 -0.86 . . . . 0.0 110.427 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.5 p -167.01 40.05 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.364 -0.835 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 2.5 tt0 -92.2 18.7 7.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.295 -0.878 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 3.7 mt -140.43 50.65 1.68 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -133.19 -160.38 1.04 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.166 -0.959 . . . . 0.0 110.393 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.508 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 2.9 t -65.68 -129.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.29 -0.881 . . . . 0.0 109.647 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 8' ' ' VAL . 6.4 p-10 -39.97 158.96 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.35 58.52 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.252 -0.905 . . . . 0.0 110.534 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' CYS . . . -142.78 18.38 1.99 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.137 -0.977 . . . . 0.0 110.328 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' ALA . 56.2 m 38.11 31.25 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.779 -0.576 . . . . 0.0 110.858 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -136.88 108.27 6.88 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.256 -0.902 . . . . 0.0 109.58 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.36 34.0 37.76 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -95.09 -152.17 0.35 Allowed 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.459 -1.024 . . . . 0.0 109.791 -179.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.459 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.297 -1.696 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.106 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.597 0.713 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -152.28 38.49 0.56 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.601 -0.687 . . . . 0.0 110.193 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -120.15 165.2 15.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.297 -0.877 . . . . 0.0 110.165 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 p -141.1 45.75 1.76 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.156 -0.965 . . . . 0.0 110.213 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -92.33 17.36 9.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.928 . . . . 0.0 109.968 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 6' ' ' LEU . 1.8 mp -129.72 8.67 5.35 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.43 0.634 . . . . 0.0 109.883 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -57.02 174.92 0.15 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 0.0 110.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 8' ' ' VAL . 60.5 t -88.69 28.89 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.235 -0.916 . . . . 0.0 109.946 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -171.52 -143.29 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.429 -0.795 . . . . 0.0 109.767 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.738 ' O ' HG12 ' A' ' 10' ' ' VAL . 89.6 t -134.65 43.07 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.0 110.316 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' THR . . . -149.14 23.36 0.94 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.286 -0.884 . . . . 0.0 110.089 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ALA . 58.6 m 40.49 26.97 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.546 -0.721 . . . . 0.0 110.659 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.651 ' O ' HG22 ' A' ' 13' ' ' THR . 98.9 m -123.23 22.12 9.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.149 -0.969 . . . . 0.0 109.796 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.9 46.4 0.7 Allowed Glycine 0 N--CA 1.486 1.979 0 N-CA-C 108.696 -1.761 . . . . 0.0 108.696 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 5.2 m -89.96 91.63 8.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.376 -1.073 . . . . 0.0 110.138 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.297 -1.683 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.072 179.957 . . . . . . . . 0 0 . 1 stop_ save_