data_1i6y_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 1i6y _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.044 0.449 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' HG2' ' CG2' ' A' ' 4' ' ' VAL . 16.4 ttm180 -90.49 -104.43 0.1 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -140.21 178.23 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.602 -1.311 . . . . 0.0 109.763 178.325 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.874 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 36.7 t -94.86 -5.56 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.657 -1.277 . . . . 0.0 113.795 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.04 76.44 0.66 Allowed 'General case' 0 C--N 1.289 -2.026 0 C-N-CA 118.066 -1.454 . . . . 0.0 107.173 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 5' ' ' VAL . . . 63.37 33.63 87.75 Favored Glycine 0 N--CA 1.476 1.313 0 N-CA-C 106.791 -2.523 . . . . 0.0 106.791 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 4' ' ' VAL . 6.6 m-20 -142.67 -10.35 0.81 Allowed 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.874 ' HB2' ' HA ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -84.14 156.73 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.332 -1.48 . . . . 0.0 112.166 -177.216 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 2.2 mm? -100.24 -101.19 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.006 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -131.11 14.59 5.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.202 -0.936 . . . . 0.0 110.06 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.658 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 121.396 0.617 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.491 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . 3.0 ptm180 -150.4 127.45 11.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.435 -0.79 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -105.29 -94.6 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.294 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -178.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.133 -0.98 . . . . 0.0 110.89 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.497 ' HA ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 mtt180 -76.2 -15.76 59.98 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.938 -1.102 . . . . 0.0 111.899 -177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.28 -28.1 68.67 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.536 ' O ' HG22 ' A' ' 4' ' ' VAL . 2.5 m-20 -160.29 83.99 0.71 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.511 -0.994 . . . . 0.0 110.109 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 1.6 m-85 -84.98 73.68 10.64 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.799 -1.188 . . . . 0.0 111.284 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -148.8 14.7 0.94 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.789 . . . . 0.0 111.101 178.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.441 ' HB3' ' CG1' ' A' ' 4' ' ' VAL . 5.3 t70 -98.45 158.8 15.36 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.13 -0.981 . . . . 0.0 110.512 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.337 0.589 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -112.61 165.18 12.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.358 -0.839 . . . . 0.0 109.928 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.52 158.23 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.978 -1.076 . . . . 0.0 111.19 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.05 151.42 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -77.22 80.13 3.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.637 -1.289 . . . . 0.0 108.7 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.83 -34.49 1.57 Allowed Glycine 0 N--CA 1.486 2.0 0 N-CA-C 107.316 -2.314 . . . . 0.0 107.316 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.21 66.71 0.79 Allowed 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 68.2 m-85 -77.0 71.93 3.53 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.323 -0.86 . . . . 0.0 109.784 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 3.7 mm? -98.2 39.57 1.23 Allowed 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 12.6 p-10 -83.83 60.95 6.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 109.939 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASP . 31.4 p . . . . . 0 N--CA 1.497 1.881 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.072 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.4 mtt-85 -98.4 173.24 7.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.118 -0.989 . . . . 0.0 109.285 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.49 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 12.9 p -139.38 58.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 9' ' ' TYR . 2.0 m -89.86 135.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.7 111.58 7.98 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.216 1.008 . . . . 0.0 110.875 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.47 -41.77 1.47 Allowed Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -160.35 90.12 0.87 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -1.007 . . . . 0.0 109.763 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.49 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . 39.8 p90 -133.13 20.06 4.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.404 -0.81 . . . . 0.0 111.63 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -117.98 64.19 0.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.154 -0.966 . . . . 0.0 109.757 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -122.93 -41.02 2.37 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.121 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 110.447 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.243 0.544 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -104.98 -63.52 1.22 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.148 -0.97 . . . . 0.0 109.993 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 8' ' ' ASP . 1.6 p -145.49 -159.63 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.738 -0.601 . . . . 0.0 110.463 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.48 ' N ' HG13 ' A' ' 4' ' ' VAL . 88.1 t -136.89 -72.41 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.916 -1.115 . . . . 0.0 110.595 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 4.1 ptt180 -76.29 119.78 20.64 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.0 0.905 . . . . 0.0 109.845 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.41 -32.57 7.39 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.495 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 2.0 m-20 -155.17 88.89 1.18 Allowed 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 81.1 m-85 -84.26 88.93 7.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.497 -0.752 . . . . 0.0 110.966 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 3.0 mm? -119.83 76.23 1.14 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -89.71 152.62 21.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.109 -0.994 . . . . 0.0 110.721 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.487 1.392 0 O-C-N 121.597 -0.689 . . . . 0.0 110.108 -179.811 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.128 0.49 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.1 mtm-85 -136.29 165.72 25.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 11' ' ' ASP . 4.7 p -140.14 154.05 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.161 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.24 146.3 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.753 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 5.0 ptt-85 -83.31 100.41 10.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.876 -1.14 . . . . 0.0 109.157 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 -23.4 3.61 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 5' ' ' VAL . 49.7 m-20 -146.58 84.87 1.63 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 4' ' ' VAL . 45.0 m-85 -82.47 116.69 22.03 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.293 -0.879 . . . . 0.0 111.782 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.54 45.14 1.62 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' A' ' 4' ' ' VAL . 15.1 p-10 -99.03 75.7 2.06 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.551 -0.718 . . . . 0.0 111.459 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.293 -0.879 . . . . 0.0 110.92 178.654 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.292 0.568 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 11.2 mtt180 -136.1 170.9 15.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 0.0 109.637 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 1.6 t -143.03 101.64 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.364 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 8' ' ' ASP . 2.7 m -94.92 140.54 16.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -73.81 100.29 3.42 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.449 -1.407 . . . . 0.0 112.307 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.9 -37.36 2.11 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' CG2' ' A' ' 5' ' ' VAL . 0.6 OUTLIER -133.61 49.66 2.27 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.952 -0.734 . . . . 0.0 109.719 179.039 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -90.11 99.18 12.25 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.625 -178.437 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -107.0 76.99 1.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 3' ' ' ARG . 18.1 t70 -90.03 119.07 30.07 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.408 -0.808 . . . . 0.0 110.053 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.58 -0.7 . . . . 0.0 109.423 -179.658 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 77.9 m . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 120.999 0.428 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.52 42.26 1.26 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.0 110.776 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 8' ' ' ASP . 13.1 t -143.72 170.78 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.141 -0.974 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.0 t -132.37 -121.18 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.988 -1.07 . . . . 0.0 111.332 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 133.94 40.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.493 -1.38 . . . . 0.0 110.282 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.51 -36.33 4.32 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 -177.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' O ' HG13 ' A' ' 4' ' ' VAL . 3.9 m-20 -150.05 77.47 1.32 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.842 -0.799 . . . . 0.0 108.956 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -83.79 110.77 18.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.032 -1.043 . . . . 0.0 111.32 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.82 50.09 1.46 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 12.1 t70 -88.97 157.1 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.684 -0.635 . . . . 0.0 110.524 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.531 -0.731 . . . . 0.0 110.505 -179.155 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.232 0.539 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -122.21 151.57 40.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -0.821 . . . . 0.0 110.161 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 11' ' ' ASP . 3.8 p -124.85 149.75 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.925 -1.109 . . . . 0.0 111.581 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.84 156.28 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -76.79 77.78 3.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.53 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.95 -34.18 1.34 Allowed Glycine 0 N--CA 1.488 2.115 0 N-CA-C 107.406 -2.277 . . . . 0.0 107.406 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.39 64.36 0.69 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 63.7 m-85 -76.99 68.74 3.19 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.206 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 3.7 mm? -98.56 24.91 6.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.822 . . . . 0.0 109.907 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' A' ' 4' ' ' VAL . 4.7 t0 -84.43 -178.36 6.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.391 -0.818 . . . . 0.0 109.635 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.986 . . . . 0.0 110.625 -179.652 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.6 m . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 121.063 0.459 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -146.2 36.94 1.02 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 8' ' ' ASP . 8.3 p -151.03 168.96 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.025 -1.047 . . . . 0.0 111.113 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.456 ' CG1' ' H ' ' A' ' 6' ' ' ARG . 1.3 p -141.1 -87.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.152 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 14.6 tpt180 -75.32 128.56 35.68 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.178 -0.951 . . . . 0.0 109.245 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.7 -33.59 6.43 Favored Glycine 0 N--CA 1.483 1.797 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 2.0 m-20 -157.23 92.42 1.25 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 79.3 m-85 -84.73 97.88 9.92 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.243 -0.911 . . . . 0.0 111.125 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 5.0 mp -141.83 59.68 1.48 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -85.33 149.78 25.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.121 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.488 -0.757 . . . . 0.0 110.306 -179.093 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.989 0.423 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -144.48 -25.72 0.52 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.164 -0.96 . . . . 0.0 111.851 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.41 HG13 ' CB ' ' A' ' 8' ' ' ASP . 7.3 p -88.44 165.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 110.809 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 90.2 t -136.01 -75.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 121.715 0.769 . . . . 0.0 109.894 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 10.6 mtm180 -75.84 126.29 30.72 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.979 0.895 . . . . 0.0 109.638 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.22 -37.34 3.77 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 106.37 -2.692 . . . . 0.0 106.37 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.41 ' CB ' HG13 ' A' ' 4' ' ' VAL . 2.9 m-20 -154.85 88.78 1.2 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 78.8 m-85 -77.38 80.97 3.87 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.209 -0.932 . . . . 0.0 109.654 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 3.9 mp -112.42 59.58 0.63 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -88.05 142.05 28.09 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.982 . . . . 0.0 109.843 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.45 -0.781 . . . . 0.0 110.403 -178.776 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 121.044 0.45 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -93.94 161.2 14.4 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 109.298 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 9.8 p -147.93 109.21 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.051 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.489 ' N ' ' HB3' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -93.37 132.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.573 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -74.45 116.54 15.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.889 -1.125 . . . . 0.0 110.486 -177.471 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.51 -40.65 1.82 Allowed Glycine 0 N--CA 1.484 1.87 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -151.97 64.77 0.85 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.832 -0.805 . . . . 0.0 109.398 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.489 ' HB3' ' N ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -94.96 155.25 16.82 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.148 0.975 . . . . 0.0 112.681 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HA ' HD21 ' A' ' 10' ' ' LEU . 46.3 mt -140.89 64.96 1.41 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 12' ' ' CYS . 48.6 p-10 -92.98 78.69 4.64 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.207 -0.933 . . . . 0.0 111.442 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 11' ' ' ASP . 24.9 p . . . . . 0 N--CA 1.504 2.243 0 O-C-N 121.816 -0.552 . . . . 0.0 111.796 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.81 134.4 26.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.075 -1.015 . . . . 0.0 110.72 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.453 ' CG2' ' CZ ' ' A' ' 9' ' ' TYR . 7.2 p -95.02 147.99 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.465 -0.772 . . . . 0.0 110.685 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -129.87 138.87 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.378 -0.826 . . . . 0.0 110.13 179.382 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.17 103.44 10.97 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.798 0.808 . . . . 0.0 110.087 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.55 -19.55 7.99 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.409 ' O ' HG21 ' A' ' 5' ' ' VAL . 8.2 m-20 -153.47 91.51 1.5 Allowed 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.318 -1.107 . . . . 0.0 109.336 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -76.07 153.32 36.46 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.452 -0.78 . . . . 0.0 110.245 -179.199 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.52 -145.0 0.3 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.593 -0.692 . . . . 0.0 110.479 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -141.76 70.11 1.33 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.955 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.205 -0.934 . . . . 0.0 110.689 -179.68 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 121.036 0.446 . . . . 0.0 110.713 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -143.7 23.41 1.76 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.088 -1.007 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 8' ' ' ASP . 14.8 p -142.96 165.79 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.841 -1.162 . . . . 0.0 111.089 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.508 ' CG1' ' H ' ' A' ' 6' ' ' ARG . 1.5 p -142.39 -87.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.269 -0.894 . . . . 0.0 112.002 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.508 ' H ' ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -74.9 126.49 31.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.063 -1.023 . . . . 0.0 110.38 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.56 -29.76 10.92 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 107.809 -2.117 . . . . 0.0 107.809 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 4' ' ' VAL . 6.3 m-20 -152.05 88.03 1.37 Allowed 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -80.15 59.03 3.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.317 -0.864 . . . . 0.0 110.786 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 10.8 mp -100.84 67.55 1.24 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 12' ' ' CYS . 10.6 p-10 -95.26 50.55 1.26 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.519 -0.738 . . . . 0.0 110.574 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 11' ' ' ASP . 19.8 p . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 120.933 0.397 . . . . 0.0 111.821 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.189 0.518 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -132.55 25.19 4.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.181 -0.949 . . . . 0.0 110.518 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 8' ' ' ASP . 2.1 p -129.11 171.03 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.198 -0.939 . . . . 0.0 109.647 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.473 ' CG1' ' CE1' ' A' ' 9' ' ' TYR . 98.0 t -125.49 -84.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.079 -1.013 . . . . 0.0 112.061 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -74.6 120.08 19.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.104 -0.998 . . . . 0.0 110.651 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.03 -37.48 3.74 Favored Glycine 0 N--CA 1.484 1.855 0 N-CA-C 106.432 -2.667 . . . . 0.0 106.432 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 3.0 m-20 -158.37 94.36 1.28 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.473 ' CE1' ' CG1' ' A' ' 5' ' ' VAL . 57.7 m-85 -77.54 150.97 34.73 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 110.619 -177.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.19 46.6 1.12 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.466 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -90.71 61.47 4.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m . . . . . 0 C--N 1.305 -1.368 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.179 -178.873 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.676 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 m -134.59 135.36 42.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.504 -0.747 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' HG2' ' CG2' ' A' ' 4' ' ' VAL . 16.4 ttm180 -90.49 -104.43 0.1 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -140.21 178.23 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.602 -1.311 . . . . 0.0 109.763 178.325 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.874 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 36.7 t -94.86 -5.56 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.657 -1.277 . . . . 0.0 113.795 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.04 76.44 0.66 Allowed 'General case' 0 C--N 1.289 -2.026 0 C-N-CA 118.066 -1.454 . . . . 0.0 107.173 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 5' ' ' VAL . . . 63.37 33.63 87.75 Favored Glycine 0 N--CA 1.476 1.313 0 N-CA-C 106.791 -2.523 . . . . 0.0 106.791 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 4' ' ' VAL . 6.6 m-20 -142.67 -10.35 0.81 Allowed 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.874 ' HB2' ' HA ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -84.14 156.73 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.332 -1.48 . . . . 0.0 112.166 -177.216 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 2.2 mm? -100.24 -101.19 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.006 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -131.11 14.59 5.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.202 -0.936 . . . . 0.0 110.06 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.5 16.77 22.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.2 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.409 ' O ' ' HB2' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.216 -0.706 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 1' ' ' ACE . 69.4 m 55.88 106.26 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.53 -0.732 . . . . 0.0 110.612 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.491 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . 3.0 ptm180 -150.4 127.45 11.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.435 -0.79 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -105.29 -94.6 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.294 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -178.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.133 -0.98 . . . . 0.0 110.89 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.497 ' HA ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 mtt180 -76.2 -15.76 59.98 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.938 -1.102 . . . . 0.0 111.899 -177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.28 -28.1 68.67 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.536 ' O ' HG22 ' A' ' 4' ' ' VAL . 2.5 m-20 -160.29 83.99 0.71 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.511 -0.994 . . . . 0.0 110.109 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 1.6 m-85 -84.98 73.68 10.64 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.799 -1.188 . . . . 0.0 111.284 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -148.8 14.7 0.94 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.789 . . . . 0.0 111.101 178.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' HB3' ' CG1' ' A' ' 4' ' ' VAL . 5.3 t70 -98.45 158.8 15.36 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.13 -0.981 . . . . 0.0 110.512 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.1 m -101.3 -17.38 16.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.624 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.7 m -88.02 83.89 7.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -112.61 165.18 12.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.358 -0.839 . . . . 0.0 109.928 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -138.52 158.23 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.978 -1.076 . . . . 0.0 111.19 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.05 151.42 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -77.22 80.13 3.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.637 -1.289 . . . . 0.0 108.7 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.83 -34.49 1.57 Allowed Glycine 0 N--CA 1.486 2.0 0 N-CA-C 107.316 -2.314 . . . . 0.0 107.316 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -119.21 66.71 0.79 Allowed 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 68.2 m-85 -77.0 71.93 3.53 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.323 -0.86 . . . . 0.0 109.784 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 3.7 mm? -98.2 39.57 1.23 Allowed 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 12.6 p-10 -83.83 60.95 6.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 109.939 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASP . 31.4 p 29.61 44.74 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.072 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.443 0 O-C-N 119.804 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.687 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.16 -177.18 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.167 -0.958 . . . . 0.0 109.687 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.4 mtt-85 -98.4 173.24 7.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.118 -0.989 . . . . 0.0 109.285 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.49 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 12.9 p -139.38 58.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 9' ' ' TYR . 2.0 m -89.86 135.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.7 111.58 7.98 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.216 1.008 . . . . 0.0 110.875 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.47 -41.77 1.47 Allowed Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -160.35 90.12 0.87 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -1.007 . . . . 0.0 109.763 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.49 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . 39.8 p90 -133.13 20.06 4.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.404 -0.81 . . . . 0.0 111.63 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -117.98 64.19 0.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.154 -0.966 . . . . 0.0 109.757 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -122.93 -41.02 2.37 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.121 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m 52.25 72.77 0.37 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 110.447 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.786 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.645 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.6 m 54.42 70.29 0.63 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.372 -0.83 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -104.98 -63.52 1.22 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.148 -0.97 . . . . 0.0 109.993 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 8' ' ' ASP . 1.6 p -145.49 -159.63 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.738 -0.601 . . . . 0.0 110.463 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.48 ' N ' HG13 ' A' ' 4' ' ' VAL . 88.1 t -136.89 -72.41 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.916 -1.115 . . . . 0.0 110.595 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 4.1 ptt180 -76.29 119.78 20.64 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.0 0.905 . . . . 0.0 109.845 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.41 -32.57 7.39 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.495 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 2.0 m-20 -155.17 88.89 1.18 Allowed 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 81.1 m-85 -84.26 88.93 7.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.497 -0.752 . . . . 0.0 110.966 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 3.0 mm? -119.83 76.23 1.14 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -89.71 152.62 21.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.109 -0.994 . . . . 0.0 110.721 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m -83.2 -12.35 56.95 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.597 -0.689 . . . . 0.0 110.108 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.255 0 O-C-N 119.773 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.65 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 155.02 21.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.283 -0.885 . . . . 0.0 110.111 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.1 mtm-85 -136.29 165.72 25.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 11' ' ' ASP . 4.7 p -140.14 154.05 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.161 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.24 146.3 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.753 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 5.0 ptt-85 -83.31 100.41 10.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.876 -1.14 . . . . 0.0 109.157 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 -23.4 3.61 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 5' ' ' VAL . 49.7 m-20 -146.58 84.87 1.63 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 4' ' ' VAL . 45.0 m-85 -82.47 116.69 22.03 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.293 -0.879 . . . . 0.0 111.782 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.54 45.14 1.62 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' A' ' 4' ' ' VAL . 15.1 p-10 -99.03 75.7 2.06 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.551 -0.718 . . . . 0.0 111.459 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.8 m 50.64 40.79 24.77 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.293 -0.879 . . . . 0.0 110.92 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.794 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 m -137.46 101.25 4.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.394 -0.816 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 11.2 mtt180 -136.1 170.9 15.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 0.0 109.637 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 1.6 t -143.03 101.64 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.364 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 8' ' ' ASP . 2.7 m -94.92 140.54 16.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -73.81 100.29 3.42 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.449 -1.407 . . . . 0.0 112.307 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.9 -37.36 2.11 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' CG2' ' A' ' 5' ' ' VAL . 0.6 OUTLIER -133.61 49.66 2.27 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.952 -0.734 . . . . 0.0 109.719 179.039 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -90.11 99.18 12.25 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.625 -178.437 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.0 mp -107.0 76.99 1.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 3' ' ' ARG . 18.1 t70 -90.03 119.07 30.07 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.408 -0.808 . . . . 0.0 110.053 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.4 m 57.88 31.02 19.97 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.58 -0.7 . . . . 0.0 109.423 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.769 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 11' ' ' ASP . 77.9 m 49.64 41.84 22.29 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.475 -0.765 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.52 42.26 1.26 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.0 110.776 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 8' ' ' ASP . 13.1 t -143.72 170.78 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.141 -0.974 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.0 t -132.37 -121.18 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.988 -1.07 . . . . 0.0 111.332 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 133.94 40.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.493 -1.38 . . . . 0.0 110.282 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.51 -36.33 4.32 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 -177.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' O ' HG13 ' A' ' 4' ' ' VAL . 3.9 m-20 -150.05 77.47 1.32 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.842 -0.799 . . . . 0.0 108.956 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -83.79 110.77 18.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.032 -1.043 . . . . 0.0 111.32 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.82 50.09 1.46 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 12.1 t70 -88.97 157.1 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.684 -0.635 . . . . 0.0 110.524 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 p -135.81 61.13 1.66 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.531 -0.731 . . . . 0.0 110.505 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.829 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.08 85.21 5.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.888 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -122.21 151.57 40.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -0.821 . . . . 0.0 110.161 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 11' ' ' ASP . 3.8 p -124.85 149.75 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.925 -1.109 . . . . 0.0 111.581 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.84 156.28 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -76.79 77.78 3.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.53 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.95 -34.18 1.34 Allowed Glycine 0 N--CA 1.488 2.115 0 N-CA-C 107.406 -2.277 . . . . 0.0 107.406 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.39 64.36 0.69 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 63.7 m-85 -76.99 68.74 3.19 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.206 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 3.7 mm? -98.56 24.91 6.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.822 . . . . 0.0 109.907 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' A' ' 4' ' ' VAL . 4.7 t0 -84.43 -178.36 6.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.391 -0.818 . . . . 0.0 109.635 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p -120.19 26.22 9.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.986 . . . . 0.0 110.625 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 120.014 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.792 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.6 m 52.7 87.73 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.529 -0.732 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -146.2 36.94 1.02 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 8' ' ' ASP . 8.3 p -151.03 168.96 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.025 -1.047 . . . . 0.0 111.113 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.456 ' CG1' ' H ' ' A' ' 6' ' ' ARG . 1.3 p -141.1 -87.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.152 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 14.6 tpt180 -75.32 128.56 35.68 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.178 -0.951 . . . . 0.0 109.245 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.7 -33.59 6.43 Favored Glycine 0 N--CA 1.483 1.797 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 2.0 m-20 -157.23 92.42 1.25 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 79.3 m-85 -84.73 97.88 9.92 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.243 -0.911 . . . . 0.0 111.125 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 5.0 mp -141.83 59.68 1.48 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -85.33 149.78 25.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.121 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -101.51 36.86 1.92 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.488 -0.757 . . . . 0.0 110.306 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.74 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m -99.01 92.61 5.58 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.459 -0.776 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -144.48 -25.72 0.52 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.164 -0.96 . . . . 0.0 111.851 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.41 HG13 ' CB ' ' A' ' 8' ' ' ASP . 7.3 p -88.44 165.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 110.809 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 90.2 t -136.01 -75.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 121.715 0.769 . . . . 0.0 109.894 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 10.6 mtm180 -75.84 126.29 30.72 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.979 0.895 . . . . 0.0 109.638 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.22 -37.34 3.77 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 106.37 -2.692 . . . . 0.0 106.37 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.41 ' CB ' HG13 ' A' ' 4' ' ' VAL . 2.9 m-20 -154.85 88.78 1.2 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 78.8 m-85 -77.38 80.97 3.87 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.209 -0.932 . . . . 0.0 109.654 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 3.9 mp -112.42 59.58 0.63 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -88.05 142.05 28.09 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.982 . . . . 0.0 109.843 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -133.88 50.92 2.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.45 -0.781 . . . . 0.0 110.403 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m -116.3 130.18 56.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.443 -0.786 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -93.94 161.2 14.4 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 109.298 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 9.8 p -147.93 109.21 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.051 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.489 ' N ' ' HB3' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -93.37 132.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.573 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -74.45 116.54 15.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.889 -1.125 . . . . 0.0 110.486 -177.471 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.51 -40.65 1.82 Allowed Glycine 0 N--CA 1.484 1.87 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -151.97 64.77 0.85 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.832 -0.805 . . . . 0.0 109.398 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' HB3' ' N ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -94.96 155.25 16.82 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.148 0.975 . . . . 0.0 112.681 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HA ' HD21 ' A' ' 10' ' ' LEU . 46.3 mt -140.89 64.96 1.41 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 12' ' ' CYS . 48.6 p-10 -92.98 78.69 4.64 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.207 -0.933 . . . . 0.0 111.442 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 11' ' ' ASP . 24.9 p 25.8 47.61 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.816 -0.552 . . . . 0.0 111.796 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' ASP . . . . . . . . 0 C--N 1.303 -1.414 0 O-C-N 119.93 -1.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.708 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -88.14 -161.41 0.72 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.36 -0.838 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.81 134.4 26.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.075 -1.015 . . . . 0.0 110.72 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.453 ' CG2' ' CZ ' ' A' ' 9' ' ' TYR . 7.2 p -95.02 147.99 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.465 -0.772 . . . . 0.0 110.685 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -129.87 138.87 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.378 -0.826 . . . . 0.0 110.13 179.382 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.17 103.44 10.97 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.798 0.808 . . . . 0.0 110.087 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.55 -19.55 7.99 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.409 ' O ' HG21 ' A' ' 5' ' ' VAL . 8.2 m-20 -153.47 91.51 1.5 Allowed 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.318 -1.107 . . . . 0.0 109.336 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -76.07 153.32 36.46 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.452 -0.78 . . . . 0.0 110.245 -179.199 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.52 -145.0 0.3 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.593 -0.692 . . . . 0.0 110.479 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -141.76 70.11 1.33 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.955 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m -133.31 33.18 3.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.205 -0.934 . . . . 0.0 110.689 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 1.0 OUTLIER 51.52 61.48 3.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.372 -0.83 . . . . 0.0 110.713 . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -143.7 23.41 1.76 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.088 -1.007 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 8' ' ' ASP . 14.8 p -142.96 165.79 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.841 -1.162 . . . . 0.0 111.089 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.508 ' CG1' ' H ' ' A' ' 6' ' ' ARG . 1.5 p -142.39 -87.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.269 -0.894 . . . . 0.0 112.002 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.508 ' H ' ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -74.9 126.49 31.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.063 -1.023 . . . . 0.0 110.38 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.56 -29.76 10.92 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 107.809 -2.117 . . . . 0.0 107.809 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 4' ' ' VAL . 6.3 m-20 -152.05 88.03 1.37 Allowed 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -80.15 59.03 3.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.317 -0.864 . . . . 0.0 110.786 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 10.8 mp -100.84 67.55 1.24 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 12' ' ' CYS . 10.6 p-10 -95.26 50.55 1.26 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.519 -0.738 . . . . 0.0 110.574 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 11' ' ' ASP . 19.8 p 29.86 45.03 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 120.933 0.397 . . . . 0.0 111.821 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.829 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.712 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.35 85.52 3.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.425 -0.797 . . . . 0.0 109.873 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -132.55 25.19 4.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.181 -0.949 . . . . 0.0 110.518 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 8' ' ' ASP . 2.1 p -129.11 171.03 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.198 -0.939 . . . . 0.0 109.647 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' CG1' ' CE1' ' A' ' 9' ' ' TYR . 98.0 t -125.49 -84.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.079 -1.013 . . . . 0.0 112.061 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -74.6 120.08 19.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.104 -0.998 . . . . 0.0 110.651 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.03 -37.48 3.74 Favored Glycine 0 N--CA 1.484 1.855 0 N-CA-C 106.432 -2.667 . . . . 0.0 106.432 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.466 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 3.0 m-20 -158.37 94.36 1.28 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.473 ' CE1' ' CG1' ' A' ' 5' ' ' VAL . 57.7 m-85 -77.54 150.97 34.73 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 110.619 -177.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.19 46.6 1.12 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.466 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -90.71 61.47 4.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -96.5 34.47 1.63 Allowed 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.179 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.044 0.449 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.515 ' HG2' HG23 ' A' ' 4' ' ' VAL . 16.4 ttm180 -90.49 -104.43 0.1 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -140.21 178.23 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.602 -1.311 . . . . 0.0 109.763 178.325 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.851 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 36.7 t -94.86 -5.56 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.657 -1.277 . . . . 0.0 113.795 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.04 76.44 0.66 Allowed 'General case' 0 C--N 1.289 -2.026 0 C-N-CA 118.066 -1.454 . . . . 0.0 107.173 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 5' ' ' VAL . . . 63.37 33.63 87.75 Favored Glycine 0 N--CA 1.476 1.313 0 N-CA-C 106.791 -2.523 . . . . 0.0 106.791 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 4' ' ' VAL . 6.6 m-20 -142.67 -10.35 0.81 Allowed 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.851 ' HB2' ' HA ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -84.14 156.73 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.332 -1.48 . . . . 0.0 112.166 -177.216 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.2 mm? -100.24 -101.19 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.006 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -131.11 14.59 5.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.202 -0.936 . . . . 0.0 110.06 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.658 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 121.396 0.617 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . 3.0 ptm180 -150.4 127.45 11.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.435 -0.79 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -105.29 -94.6 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.294 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -178.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.133 -0.98 . . . . 0.0 110.89 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HA ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 mtt180 -76.2 -15.76 59.98 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.938 -1.102 . . . . 0.0 111.899 -177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.28 -28.1 68.67 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 4' ' ' VAL . 2.5 m-20 -160.29 83.99 0.71 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.511 -0.994 . . . . 0.0 110.109 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 1.6 m-85 -84.98 73.68 10.64 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.799 -1.188 . . . . 0.0 111.284 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.608 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -148.8 14.7 0.94 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.789 . . . . 0.0 111.101 178.156 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.56 ' HB3' HG13 ' A' ' 4' ' ' VAL . 5.3 t70 -98.45 158.8 15.36 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.13 -0.981 . . . . 0.0 110.512 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.337 0.589 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -112.61 165.18 12.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.358 -0.839 . . . . 0.0 109.928 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 11' ' ' ASP . 0.5 OUTLIER -138.52 158.23 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.978 -1.076 . . . . 0.0 111.19 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -139.05 151.42 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.75 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -77.22 80.13 3.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.637 -1.289 . . . . 0.0 108.7 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.83 -34.49 1.57 Allowed Glycine 0 N--CA 1.486 2.0 0 N-CA-C 107.316 -2.314 . . . . 0.0 107.316 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 5' ' ' VAL . 2.0 m-20 -119.21 66.71 0.79 Allowed 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 68.2 m-85 -77.0 71.93 3.53 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.323 -0.86 . . . . 0.0 109.784 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.7 mm? -98.2 39.57 1.23 Allowed 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 12.6 p-10 -83.83 60.95 6.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 109.939 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASP . 31.4 p . . . . . 0 N--CA 1.497 1.881 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.072 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.4 mtt-85 -98.4 173.24 7.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.118 -0.989 . . . . 0.0 109.285 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 4' ' ' VAL . 12.9 p -139.38 58.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 8' ' ' ASP . 2.0 m -89.86 135.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.7 111.58 7.98 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.216 1.008 . . . . 0.0 110.875 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.47 -41.77 1.47 Allowed Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 5' ' ' VAL . 3.1 m-20 -160.35 90.12 0.87 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -1.007 . . . . 0.0 109.763 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.533 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . 39.8 p90 -133.13 20.06 4.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.404 -0.81 . . . . 0.0 111.63 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 10' ' ' LEU . 5.4 mt -117.98 64.19 0.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.154 -0.966 . . . . 0.0 109.757 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -122.93 -41.02 2.37 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.121 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 110.447 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.243 0.544 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -104.98 -63.52 1.22 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.148 -0.97 . . . . 0.0 109.993 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.612 HG22 ' H ' ' A' ' 5' ' ' VAL . 1.6 p -145.49 -159.63 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.738 -0.601 . . . . 0.0 110.463 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.612 ' H ' HG22 ' A' ' 4' ' ' VAL . 88.1 t -136.89 -72.41 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.916 -1.115 . . . . 0.0 110.595 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 4.1 ptt180 -76.29 119.78 20.64 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.0 0.905 . . . . 0.0 109.845 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.41 -32.57 7.39 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.52 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 2.0 m-20 -155.17 88.89 1.18 Allowed 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.711 ' C ' HD22 ' A' ' 10' ' ' LEU . 81.1 m-85 -84.26 88.93 7.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.497 -0.752 . . . . 0.0 110.966 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.711 HD22 ' C ' ' A' ' 9' ' ' TYR . 3.0 mm? -119.83 76.23 1.14 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -89.71 152.62 21.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.109 -0.994 . . . . 0.0 110.721 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.487 1.392 0 O-C-N 121.597 -0.689 . . . . 0.0 110.108 -179.811 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.128 0.49 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.1 mtm-85 -136.29 165.72 25.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 11' ' ' ASP . 4.7 p -140.14 154.05 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.161 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.24 146.3 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.753 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 6' ' ' ARG . 5.0 ptt-85 -83.31 100.41 10.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.876 -1.14 . . . . 0.0 109.157 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 -23.4 3.61 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 5' ' ' VAL . 49.7 m-20 -146.58 84.87 1.63 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 4' ' ' VAL . 45.0 m-85 -82.47 116.69 22.03 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.293 -0.879 . . . . 0.0 111.782 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.54 45.14 1.62 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 4' ' ' VAL . 15.1 p-10 -99.03 75.7 2.06 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.551 -0.718 . . . . 0.0 111.459 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.293 -0.879 . . . . 0.0 110.92 178.654 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.292 0.568 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 11.2 mtt180 -136.1 170.9 15.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 0.0 109.637 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.96 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 t -143.03 101.64 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.364 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.55 HG23 ' C ' ' A' ' 8' ' ' ASP . 2.7 m -94.92 140.54 16.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -73.81 100.29 3.42 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.449 -1.407 . . . . 0.0 112.307 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.9 -37.36 2.11 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.55 ' C ' HG23 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -133.61 49.66 2.27 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.952 -0.734 . . . . 0.0 109.719 179.039 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.843 ' HB2' HG22 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -90.11 99.18 12.25 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.625 -178.437 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.0 mp -107.0 76.99 1.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.96 ' HB2' HG23 ' A' ' 4' ' ' VAL . 18.1 t70 -90.03 119.07 30.07 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.408 -0.808 . . . . 0.0 110.053 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.58 -0.7 . . . . 0.0 109.423 -179.658 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.506 ' N ' HD12 ' A' ' 10' ' ' LEU . 77.9 m . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 120.999 0.428 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.52 42.26 1.26 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.0 110.776 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.722 HG21 HD21 ' A' ' 10' ' ' LEU . 13.1 t -143.72 170.78 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.141 -0.974 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.453 ' N ' HG12 ' A' ' 4' ' ' VAL . 5.0 t -132.37 -121.18 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.988 -1.07 . . . . 0.0 111.332 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 133.94 40.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.493 -1.38 . . . . 0.0 110.282 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.51 -36.33 4.32 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 -177.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.662 ' CB ' HG11 ' A' ' 4' ' ' VAL . 3.9 m-20 -150.05 77.47 1.32 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.842 -0.799 . . . . 0.0 108.956 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -83.79 110.77 18.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.032 -1.043 . . . . 0.0 111.32 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -142.82 50.09 1.46 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 12.1 t70 -88.97 157.1 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.684 -0.635 . . . . 0.0 110.524 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.531 -0.731 . . . . 0.0 110.505 -179.155 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.232 0.539 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -122.21 151.57 40.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -0.821 . . . . 0.0 110.161 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.646 HG23 ' HA ' ' A' ' 9' ' ' TYR . 3.8 p -124.85 149.75 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.925 -1.109 . . . . 0.0 111.581 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.84 156.28 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -76.79 77.78 3.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.53 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.95 -34.18 1.34 Allowed Glycine 0 N--CA 1.488 2.115 0 N-CA-C 107.406 -2.277 . . . . 0.0 107.406 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.39 64.36 0.69 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.646 ' HA ' HG23 ' A' ' 4' ' ' VAL . 63.7 m-85 -76.99 68.74 3.19 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.206 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.7 mm? -98.56 24.91 6.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.822 . . . . 0.0 109.907 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB2' ' HB ' ' A' ' 4' ' ' VAL . 4.7 t0 -84.43 -178.36 6.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.391 -0.818 . . . . 0.0 109.635 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.986 . . . . 0.0 110.625 -179.652 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.6 m . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 121.063 0.459 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -146.2 36.94 1.02 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 8' ' ' ASP . 8.3 p -151.03 168.96 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.025 -1.047 . . . . 0.0 111.113 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 6' ' ' ARG . 1.3 p -141.1 -87.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.152 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.727 ' H ' HG13 ' A' ' 5' ' ' VAL . 14.6 tpt180 -75.32 128.56 35.68 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.178 -0.951 . . . . 0.0 109.245 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.7 -33.59 6.43 Favored Glycine 0 N--CA 1.483 1.797 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.769 ' O ' HG13 ' A' ' 4' ' ' VAL . 2.0 m-20 -157.23 92.42 1.25 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.581 ' C ' HD12 ' A' ' 10' ' ' LEU . 79.3 m-85 -84.73 97.88 9.92 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.243 -0.911 . . . . 0.0 111.125 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 8' ' ' ASP . 5.0 mp -141.83 59.68 1.48 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -85.33 149.78 25.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.121 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.488 -0.757 . . . . 0.0 110.306 -179.093 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.989 0.423 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -144.48 -25.72 0.52 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.164 -0.96 . . . . 0.0 111.851 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 8' ' ' ASP . 7.3 p -88.44 165.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 110.809 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' N ' HG22 ' A' ' 4' ' ' VAL . 90.2 t -136.01 -75.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 121.715 0.769 . . . . 0.0 109.894 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 10.6 mtm180 -75.84 126.29 30.72 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.979 0.895 . . . . 0.0 109.638 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.22 -37.34 3.77 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 106.37 -2.692 . . . . 0.0 106.37 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.754 ' O ' HG13 ' A' ' 4' ' ' VAL . 2.9 m-20 -154.85 88.78 1.2 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 78.8 m-85 -77.38 80.97 3.87 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.209 -0.932 . . . . 0.0 109.654 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 9' ' ' TYR . 3.9 mp -112.42 59.58 0.63 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -88.05 142.05 28.09 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.982 . . . . 0.0 109.843 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.45 -0.781 . . . . 0.0 110.403 -178.776 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 121.044 0.45 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -93.94 161.2 14.4 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 109.298 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' A' ' 9' ' ' TYR . 9.8 p -147.93 109.21 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.051 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -93.37 132.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.573 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -74.45 116.54 15.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.889 -1.125 . . . . 0.0 110.486 -177.471 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.51 -40.65 1.82 Allowed Glycine 0 N--CA 1.484 1.87 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 5' ' ' VAL . 23.8 m-20 -151.97 64.77 0.85 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.832 -0.805 . . . . 0.0 109.398 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.686 ' HB2' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -94.96 155.25 16.82 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.148 0.975 . . . . 0.0 112.681 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 9' ' ' TYR . 46.3 mt -140.89 64.96 1.41 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 12' ' ' CYS . 48.6 p-10 -92.98 78.69 4.64 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.207 -0.933 . . . . 0.0 111.442 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 11' ' ' ASP . 24.9 p . . . . . 0 N--CA 1.504 2.243 0 O-C-N 121.816 -0.552 . . . . 0.0 111.796 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.81 134.4 26.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.075 -1.015 . . . . 0.0 110.72 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.538 HG23 ' CZ ' ' A' ' 9' ' ' TYR . 7.2 p -95.02 147.99 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.465 -0.772 . . . . 0.0 110.685 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -129.87 138.87 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.378 -0.826 . . . . 0.0 110.13 179.382 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.17 103.44 10.97 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.798 0.808 . . . . 0.0 110.087 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.55 -19.55 7.99 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 5' ' ' VAL . 8.2 m-20 -153.47 91.51 1.5 Allowed 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.318 -1.107 . . . . 0.0 109.336 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.538 ' CZ ' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -76.07 153.32 36.46 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.452 -0.78 . . . . 0.0 110.245 -179.199 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.52 -145.0 0.3 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.593 -0.692 . . . . 0.0 110.479 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -141.76 70.11 1.33 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.955 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.205 -0.934 . . . . 0.0 110.689 -179.68 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 121.036 0.446 . . . . 0.0 110.713 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -143.7 23.41 1.76 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.088 -1.007 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 8' ' ' ASP . 14.8 p -142.96 165.79 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.841 -1.162 . . . . 0.0 111.089 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.784 HG13 ' H ' ' A' ' 6' ' ' ARG . 1.5 p -142.39 -87.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.269 -0.894 . . . . 0.0 112.002 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.784 ' H ' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -74.9 126.49 31.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.063 -1.023 . . . . 0.0 110.38 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.56 -29.76 10.92 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 107.809 -2.117 . . . . 0.0 107.809 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.735 ' O ' HG13 ' A' ' 4' ' ' VAL . 6.3 m-20 -152.05 88.03 1.37 Allowed 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.414 ' C ' HD12 ' A' ' 10' ' ' LEU . 91.9 m-85 -80.15 59.03 3.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.317 -0.864 . . . . 0.0 110.786 -177.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.8 mp -100.84 67.55 1.24 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 12' ' ' CYS . 10.6 p-10 -95.26 50.55 1.26 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.519 -0.738 . . . . 0.0 110.574 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 11' ' ' ASP . 19.8 p . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 120.933 0.397 . . . . 0.0 111.821 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.189 0.518 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -132.55 25.19 4.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.181 -0.949 . . . . 0.0 110.518 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 8' ' ' ASP . 2.1 p -129.11 171.03 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.198 -0.939 . . . . 0.0 109.647 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.544 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 98.0 t -125.49 -84.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.079 -1.013 . . . . 0.0 112.061 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -74.6 120.08 19.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.104 -0.998 . . . . 0.0 110.651 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.03 -37.48 3.74 Favored Glycine 0 N--CA 1.484 1.855 0 N-CA-C 106.432 -2.667 . . . . 0.0 106.432 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.932 ' O ' HG13 ' A' ' 4' ' ' VAL . 3.0 m-20 -158.37 94.36 1.28 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 5' ' ' VAL . 57.7 m-85 -77.54 150.97 34.73 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 110.619 -177.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -95.19 46.6 1.12 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.466 -178.804 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -90.71 61.47 4.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m . . . . . 0 C--N 1.305 -1.368 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.179 -178.873 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.676 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 m -134.59 135.36 42.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.504 -0.747 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.515 ' HG2' HG23 ' A' ' 4' ' ' VAL . 16.4 ttm180 -90.49 -104.43 0.1 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -140.21 178.23 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.602 -1.311 . . . . 0.0 109.763 178.325 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.851 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 36.7 t -94.86 -5.56 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.657 -1.277 . . . . 0.0 113.795 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.04 76.44 0.66 Allowed 'General case' 0 C--N 1.289 -2.026 0 C-N-CA 118.066 -1.454 . . . . 0.0 107.173 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 5' ' ' VAL . . . 63.37 33.63 87.75 Favored Glycine 0 N--CA 1.476 1.313 0 N-CA-C 106.791 -2.523 . . . . 0.0 106.791 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 4' ' ' VAL . 6.6 m-20 -142.67 -10.35 0.81 Allowed 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.851 ' HB2' ' HA ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -84.14 156.73 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.332 -1.48 . . . . 0.0 112.166 -177.216 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.2 mm? -100.24 -101.19 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.006 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -131.11 14.59 5.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.202 -0.936 . . . . 0.0 110.06 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.5 16.77 22.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.2 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.404 ' O ' ' HB2' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.216 -0.706 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' ACE . 69.4 m 55.88 106.26 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.53 -0.732 . . . . 0.0 110.612 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . 3.0 ptm180 -150.4 127.45 11.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.435 -0.79 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -105.29 -94.6 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.294 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -178.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.133 -0.98 . . . . 0.0 110.89 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HA ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 mtt180 -76.2 -15.76 59.98 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.938 -1.102 . . . . 0.0 111.899 -177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.28 -28.1 68.67 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 4' ' ' VAL . 2.5 m-20 -160.29 83.99 0.71 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.511 -0.994 . . . . 0.0 110.109 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 1.6 m-85 -84.98 73.68 10.64 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.799 -1.188 . . . . 0.0 111.284 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.608 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -148.8 14.7 0.94 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.789 . . . . 0.0 111.101 178.156 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.56 ' HB3' HG13 ' A' ' 4' ' ' VAL . 5.3 t70 -98.45 158.8 15.36 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.13 -0.981 . . . . 0.0 110.512 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.1 m -101.3 -17.38 16.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.624 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.7 m -88.02 83.89 7.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -112.61 165.18 12.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.358 -0.839 . . . . 0.0 109.928 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 11' ' ' ASP . 0.5 OUTLIER -138.52 158.23 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.978 -1.076 . . . . 0.0 111.19 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -139.05 151.42 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.75 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -77.22 80.13 3.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.637 -1.289 . . . . 0.0 108.7 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.83 -34.49 1.57 Allowed Glycine 0 N--CA 1.486 2.0 0 N-CA-C 107.316 -2.314 . . . . 0.0 107.316 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 5' ' ' VAL . 2.0 m-20 -119.21 66.71 0.79 Allowed 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 68.2 m-85 -77.0 71.93 3.53 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.323 -0.86 . . . . 0.0 109.784 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.7 mm? -98.2 39.57 1.23 Allowed 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 12.6 p-10 -83.83 60.95 6.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 109.939 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASP . 31.4 p 29.61 44.74 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.072 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.443 0 O-C-N 119.804 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.687 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.16 -177.18 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.167 -0.958 . . . . 0.0 109.687 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.4 mtt-85 -98.4 173.24 7.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.118 -0.989 . . . . 0.0 109.285 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 4' ' ' VAL . 12.9 p -139.38 58.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 8' ' ' ASP . 2.0 m -89.86 135.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.7 111.58 7.98 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.216 1.008 . . . . 0.0 110.875 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.47 -41.77 1.47 Allowed Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 5' ' ' VAL . 3.1 m-20 -160.35 90.12 0.87 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -1.007 . . . . 0.0 109.763 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.533 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . 39.8 p90 -133.13 20.06 4.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.404 -0.81 . . . . 0.0 111.63 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 10' ' ' LEU . 5.4 mt -117.98 64.19 0.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.154 -0.966 . . . . 0.0 109.757 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -122.93 -41.02 2.37 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.121 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m 52.25 72.77 0.37 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 110.447 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.786 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.645 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.6 m 54.42 70.29 0.63 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.372 -0.83 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -104.98 -63.52 1.22 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.148 -0.97 . . . . 0.0 109.993 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.612 HG22 ' H ' ' A' ' 5' ' ' VAL . 1.6 p -145.49 -159.63 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.738 -0.601 . . . . 0.0 110.463 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.612 ' H ' HG22 ' A' ' 4' ' ' VAL . 88.1 t -136.89 -72.41 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.916 -1.115 . . . . 0.0 110.595 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 4.1 ptt180 -76.29 119.78 20.64 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.0 0.905 . . . . 0.0 109.845 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.41 -32.57 7.39 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.52 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 2.0 m-20 -155.17 88.89 1.18 Allowed 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.711 ' C ' HD22 ' A' ' 10' ' ' LEU . 81.1 m-85 -84.26 88.93 7.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.497 -0.752 . . . . 0.0 110.966 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.711 HD22 ' C ' ' A' ' 9' ' ' TYR . 3.0 mm? -119.83 76.23 1.14 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -89.71 152.62 21.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.109 -0.994 . . . . 0.0 110.721 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m -83.2 -12.35 56.95 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.597 -0.689 . . . . 0.0 110.108 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.255 0 O-C-N 119.773 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.65 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 155.02 21.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.283 -0.885 . . . . 0.0 110.111 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.1 mtm-85 -136.29 165.72 25.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 11' ' ' ASP . 4.7 p -140.14 154.05 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.161 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.24 146.3 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 6' ' ' ARG . 5.0 ptt-85 -83.31 100.41 10.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.876 -1.14 . . . . 0.0 109.157 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 -23.4 3.61 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 5' ' ' VAL . 49.7 m-20 -146.58 84.87 1.63 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 4' ' ' VAL . 45.0 m-85 -82.47 116.69 22.03 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.293 -0.879 . . . . 0.0 111.782 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.54 45.14 1.62 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 4' ' ' VAL . 15.1 p-10 -99.03 75.7 2.06 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.551 -0.718 . . . . 0.0 111.459 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.8 m 50.64 40.79 24.77 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.293 -0.879 . . . . 0.0 110.92 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.794 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 m -137.46 101.25 4.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.394 -0.816 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 11.2 mtt180 -136.1 170.9 15.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 0.0 109.637 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.96 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 t -143.03 101.64 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.364 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.55 HG23 ' C ' ' A' ' 8' ' ' ASP . 2.7 m -94.92 140.54 16.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -73.81 100.29 3.42 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.449 -1.407 . . . . 0.0 112.307 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.9 -37.36 2.11 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.55 ' C ' HG23 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -133.61 49.66 2.27 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.952 -0.734 . . . . 0.0 109.719 179.039 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.843 ' HB2' HG22 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -90.11 99.18 12.25 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.625 -178.437 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.0 mp -107.0 76.99 1.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.96 ' HB2' HG23 ' A' ' 4' ' ' VAL . 18.1 t70 -90.03 119.07 30.07 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.408 -0.808 . . . . 0.0 110.053 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.4 m 57.88 31.02 19.97 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.58 -0.7 . . . . 0.0 109.423 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.769 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.666 ' H ' HD12 ' A' ' 10' ' ' LEU . 77.9 m 49.64 41.84 22.29 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.475 -0.765 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.52 42.26 1.26 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.0 110.776 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.722 HG21 HD21 ' A' ' 10' ' ' LEU . 13.1 t -143.72 170.78 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.141 -0.974 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.453 ' N ' HG12 ' A' ' 4' ' ' VAL . 5.0 t -132.37 -121.18 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.988 -1.07 . . . . 0.0 111.332 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 133.94 40.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.493 -1.38 . . . . 0.0 110.282 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.51 -36.33 4.32 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 -177.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.662 ' CB ' HG11 ' A' ' 4' ' ' VAL . 3.9 m-20 -150.05 77.47 1.32 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.842 -0.799 . . . . 0.0 108.956 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -83.79 110.77 18.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.032 -1.043 . . . . 0.0 111.32 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -142.82 50.09 1.46 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 12.1 t70 -88.97 157.1 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.684 -0.635 . . . . 0.0 110.524 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 p -135.81 61.13 1.66 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.531 -0.731 . . . . 0.0 110.505 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.829 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.08 85.21 5.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.888 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -122.21 151.57 40.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -0.821 . . . . 0.0 110.161 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.646 HG23 ' HA ' ' A' ' 9' ' ' TYR . 3.8 p -124.85 149.75 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.925 -1.109 . . . . 0.0 111.581 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.84 156.28 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -76.79 77.78 3.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.53 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.95 -34.18 1.34 Allowed Glycine 0 N--CA 1.488 2.115 0 N-CA-C 107.406 -2.277 . . . . 0.0 107.406 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.39 64.36 0.69 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.646 ' HA ' HG23 ' A' ' 4' ' ' VAL . 63.7 m-85 -76.99 68.74 3.19 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.206 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.7 mm? -98.56 24.91 6.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.822 . . . . 0.0 109.907 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB2' ' HB ' ' A' ' 4' ' ' VAL . 4.7 t0 -84.43 -178.36 6.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.391 -0.818 . . . . 0.0 109.635 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p -120.19 26.22 9.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.986 . . . . 0.0 110.625 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 120.014 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.792 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.6 m 52.7 87.73 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.529 -0.732 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -146.2 36.94 1.02 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 8' ' ' ASP . 8.3 p -151.03 168.96 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.025 -1.047 . . . . 0.0 111.113 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 6' ' ' ARG . 1.3 p -141.1 -87.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.152 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.727 ' H ' HG13 ' A' ' 5' ' ' VAL . 14.6 tpt180 -75.32 128.56 35.68 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.178 -0.951 . . . . 0.0 109.245 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.7 -33.59 6.43 Favored Glycine 0 N--CA 1.483 1.797 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.769 ' O ' HG13 ' A' ' 4' ' ' VAL . 2.0 m-20 -157.23 92.42 1.25 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.581 ' C ' HD12 ' A' ' 10' ' ' LEU . 79.3 m-85 -84.73 97.88 9.92 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.243 -0.911 . . . . 0.0 111.125 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 8' ' ' ASP . 5.0 mp -141.83 59.68 1.48 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -85.33 149.78 25.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.121 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -101.51 36.86 1.92 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.488 -0.757 . . . . 0.0 110.306 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.74 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m -99.01 92.61 5.58 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.459 -0.776 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -144.48 -25.72 0.52 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.164 -0.96 . . . . 0.0 111.851 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 8' ' ' ASP . 7.3 p -88.44 165.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 110.809 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' N ' HG22 ' A' ' 4' ' ' VAL . 90.2 t -136.01 -75.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 121.715 0.769 . . . . 0.0 109.894 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 10.6 mtm180 -75.84 126.29 30.72 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.979 0.895 . . . . 0.0 109.638 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.22 -37.34 3.77 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 106.37 -2.692 . . . . 0.0 106.37 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.754 ' O ' HG13 ' A' ' 4' ' ' VAL . 2.9 m-20 -154.85 88.78 1.2 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 78.8 m-85 -77.38 80.97 3.87 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.209 -0.932 . . . . 0.0 109.654 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 9' ' ' TYR . 3.9 mp -112.42 59.58 0.63 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -88.05 142.05 28.09 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.982 . . . . 0.0 109.843 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -133.88 50.92 2.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.45 -0.781 . . . . 0.0 110.403 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m -116.3 130.18 56.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.443 -0.786 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -93.94 161.2 14.4 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 109.298 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' A' ' 9' ' ' TYR . 9.8 p -147.93 109.21 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.051 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -93.37 132.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.573 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -74.45 116.54 15.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.889 -1.125 . . . . 0.0 110.486 -177.471 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.51 -40.65 1.82 Allowed Glycine 0 N--CA 1.484 1.87 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 5' ' ' VAL . 23.8 m-20 -151.97 64.77 0.85 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.832 -0.805 . . . . 0.0 109.398 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.686 ' HB2' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -94.96 155.25 16.82 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.148 0.975 . . . . 0.0 112.681 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 9' ' ' TYR . 46.3 mt -140.89 64.96 1.41 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 12' ' ' CYS . 48.6 p-10 -92.98 78.69 4.64 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.207 -0.933 . . . . 0.0 111.442 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 11' ' ' ASP . 24.9 p 25.8 47.61 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.816 -0.552 . . . . 0.0 111.796 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' ASP . . . . . . . . 0 C--N 1.303 -1.414 0 O-C-N 119.93 -1.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.708 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -88.14 -161.41 0.72 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.36 -0.838 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.81 134.4 26.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.075 -1.015 . . . . 0.0 110.72 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.538 HG23 ' CZ ' ' A' ' 9' ' ' TYR . 7.2 p -95.02 147.99 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.465 -0.772 . . . . 0.0 110.685 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -129.87 138.87 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.378 -0.826 . . . . 0.0 110.13 179.382 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.17 103.44 10.97 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.798 0.808 . . . . 0.0 110.087 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.55 -19.55 7.99 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 5' ' ' VAL . 8.2 m-20 -153.47 91.51 1.5 Allowed 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.318 -1.107 . . . . 0.0 109.336 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.538 ' CZ ' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -76.07 153.32 36.46 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.452 -0.78 . . . . 0.0 110.245 -179.199 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.52 -145.0 0.3 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.593 -0.692 . . . . 0.0 110.479 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -141.76 70.11 1.33 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.955 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m -133.31 33.18 3.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.205 -0.934 . . . . 0.0 110.689 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 1.0 OUTLIER 51.52 61.48 3.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.372 -0.83 . . . . 0.0 110.713 . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -143.7 23.41 1.76 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.088 -1.007 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 8' ' ' ASP . 14.8 p -142.96 165.79 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.841 -1.162 . . . . 0.0 111.089 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.784 HG13 ' H ' ' A' ' 6' ' ' ARG . 1.5 p -142.39 -87.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.269 -0.894 . . . . 0.0 112.002 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.784 ' H ' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -74.9 126.49 31.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.063 -1.023 . . . . 0.0 110.38 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.56 -29.76 10.92 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 107.809 -2.117 . . . . 0.0 107.809 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.735 ' O ' HG13 ' A' ' 4' ' ' VAL . 6.3 m-20 -152.05 88.03 1.37 Allowed 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' C ' HD12 ' A' ' 10' ' ' LEU . 91.9 m-85 -80.15 59.03 3.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.317 -0.864 . . . . 0.0 110.786 -177.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.8 mp -100.84 67.55 1.24 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 12' ' ' CYS . 10.6 p-10 -95.26 50.55 1.26 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.519 -0.738 . . . . 0.0 110.574 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 11' ' ' ASP . 19.8 p 29.86 45.03 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 120.933 0.397 . . . . 0.0 111.821 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.829 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.712 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.35 85.52 3.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.425 -0.797 . . . . 0.0 109.873 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -132.55 25.19 4.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.181 -0.949 . . . . 0.0 110.518 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 8' ' ' ASP . 2.1 p -129.11 171.03 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.198 -0.939 . . . . 0.0 109.647 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.544 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 98.0 t -125.49 -84.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.079 -1.013 . . . . 0.0 112.061 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -74.6 120.08 19.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.104 -0.998 . . . . 0.0 110.651 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.03 -37.48 3.74 Favored Glycine 0 N--CA 1.484 1.855 0 N-CA-C 106.432 -2.667 . . . . 0.0 106.432 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.932 ' O ' HG13 ' A' ' 4' ' ' VAL . 3.0 m-20 -158.37 94.36 1.28 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 5' ' ' VAL . 57.7 m-85 -77.54 150.97 34.73 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 110.619 -177.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -95.19 46.6 1.12 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.466 -178.804 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -90.71 61.47 4.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -96.5 34.47 1.63 Allowed 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.179 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.044 0.449 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.515 ' HG2' HG23 ' A' ' 4' ' ' VAL . 16.4 ttm180 -90.49 -104.43 0.1 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -140.21 178.23 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.602 -1.311 . . . . 0.0 109.763 178.325 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.851 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 36.7 t -94.86 -5.56 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.657 -1.277 . . . . 0.0 113.795 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.04 76.44 0.66 Allowed 'General case' 0 C--N 1.289 -2.026 0 C-N-CA 118.066 -1.454 . . . . 0.0 107.173 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 5' ' ' VAL . . . 63.37 33.63 87.75 Favored Glycine 0 N--CA 1.476 1.313 0 N-CA-C 106.791 -2.523 . . . . 0.0 106.791 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 4' ' ' VAL . 6.6 m-20 -142.67 -10.35 0.81 Allowed 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.851 ' HB2' ' HA ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -84.14 156.73 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.332 -1.48 . . . . 0.0 112.166 -177.216 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.2 mm? -100.24 -101.19 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.006 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -131.11 14.59 5.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.202 -0.936 . . . . 0.0 110.06 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.658 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 121.396 0.617 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . 3.0 ptm180 -150.4 127.45 11.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.435 -0.79 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -105.29 -94.6 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.294 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -178.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.133 -0.98 . . . . 0.0 110.89 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HA ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 mtt180 -76.2 -15.76 59.98 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.938 -1.102 . . . . 0.0 111.899 -177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.28 -28.1 68.67 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 4' ' ' VAL . 2.5 m-20 -160.29 83.99 0.71 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.511 -0.994 . . . . 0.0 110.109 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 1.6 m-85 -84.98 73.68 10.64 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.799 -1.188 . . . . 0.0 111.284 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -148.8 14.7 0.94 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.789 . . . . 0.0 111.101 178.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.56 ' HB3' HG13 ' A' ' 4' ' ' VAL . 5.3 t70 -98.45 158.8 15.36 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.13 -0.981 . . . . 0.0 110.512 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.337 0.589 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -112.61 165.18 12.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.358 -0.839 . . . . 0.0 109.928 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 11' ' ' ASP . 0.5 OUTLIER -138.52 158.23 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.978 -1.076 . . . . 0.0 111.19 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -139.05 151.42 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -77.22 80.13 3.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.637 -1.289 . . . . 0.0 108.7 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.83 -34.49 1.57 Allowed Glycine 0 N--CA 1.486 2.0 0 N-CA-C 107.316 -2.314 . . . . 0.0 107.316 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 5' ' ' VAL . 2.0 m-20 -119.21 66.71 0.79 Allowed 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 68.2 m-85 -77.0 71.93 3.53 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.323 -0.86 . . . . 0.0 109.784 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.7 mm? -98.2 39.57 1.23 Allowed 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 12.6 p-10 -83.83 60.95 6.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 109.939 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASP . 31.4 p . . . . . 0 N--CA 1.497 1.881 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.072 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.4 mtt-85 -98.4 173.24 7.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.118 -0.989 . . . . 0.0 109.285 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.541 ' O ' HG22 ' A' ' 4' ' ' VAL . 12.9 p -139.38 58.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 8' ' ' ASP . 2.0 m -89.86 135.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.7 111.58 7.98 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.216 1.008 . . . . 0.0 110.875 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.47 -41.77 1.47 Allowed Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 5' ' ' VAL . 3.1 m-20 -160.35 90.12 0.87 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -1.007 . . . . 0.0 109.763 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.533 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . 39.8 p90 -133.13 20.06 4.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.404 -0.81 . . . . 0.0 111.63 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 10' ' ' LEU . 5.4 mt -117.98 64.19 0.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.154 -0.966 . . . . 0.0 109.757 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -122.93 -41.02 2.37 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.121 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 110.447 179.854 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.243 0.544 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -104.98 -63.52 1.22 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.148 -0.97 . . . . 0.0 109.993 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.612 HG22 ' H ' ' A' ' 5' ' ' VAL . 1.6 p -145.49 -159.63 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.738 -0.601 . . . . 0.0 110.463 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.612 ' H ' HG22 ' A' ' 4' ' ' VAL . 88.1 t -136.89 -72.41 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.916 -1.115 . . . . 0.0 110.595 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 4.1 ptt180 -76.29 119.78 20.64 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.0 0.905 . . . . 0.0 109.845 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.41 -32.57 7.39 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.52 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 2.0 m-20 -155.17 88.89 1.18 Allowed 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.711 ' C ' HD22 ' A' ' 10' ' ' LEU . 81.1 m-85 -84.26 88.93 7.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.497 -0.752 . . . . 0.0 110.966 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.711 HD22 ' C ' ' A' ' 9' ' ' TYR . 3.0 mm? -119.83 76.23 1.14 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -89.71 152.62 21.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.109 -0.994 . . . . 0.0 110.721 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.487 1.392 0 O-C-N 121.597 -0.689 . . . . 0.0 110.108 -179.811 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.128 0.49 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.1 mtm-85 -136.29 165.72 25.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 11' ' ' ASP . 4.7 p -140.14 154.05 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.161 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.24 146.3 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 5.0 ptt-85 -83.31 100.41 10.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.876 -1.14 . . . . 0.0 109.157 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 -23.4 3.61 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 5' ' ' VAL . 49.7 m-20 -146.58 84.87 1.63 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 4' ' ' VAL . 45.0 m-85 -82.47 116.69 22.03 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.293 -0.879 . . . . 0.0 111.782 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.54 45.14 1.62 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 4' ' ' VAL . 15.1 p-10 -99.03 75.7 2.06 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.551 -0.718 . . . . 0.0 111.459 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.293 -0.879 . . . . 0.0 110.92 178.654 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.292 0.568 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 11.2 mtt180 -136.1 170.9 15.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 0.0 109.637 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.96 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 t -143.03 101.64 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.364 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.55 HG23 ' C ' ' A' ' 8' ' ' ASP . 2.7 m -94.92 140.54 16.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -73.81 100.29 3.42 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.449 -1.407 . . . . 0.0 112.307 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.9 -37.36 2.11 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.55 ' C ' HG23 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -133.61 49.66 2.27 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.952 -0.734 . . . . 0.0 109.719 179.039 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.843 ' HB2' HG22 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -90.11 99.18 12.25 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.625 -178.437 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.0 mp -107.0 76.99 1.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.96 ' HB2' HG23 ' A' ' 4' ' ' VAL . 18.1 t70 -90.03 119.07 30.07 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.408 -0.808 . . . . 0.0 110.053 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.58 -0.7 . . . . 0.0 109.423 -179.658 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.506 ' N ' HD12 ' A' ' 10' ' ' LEU . 77.9 m . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 120.999 0.428 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.52 42.26 1.26 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.0 110.776 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.722 HG21 HD21 ' A' ' 10' ' ' LEU . 13.1 t -143.72 170.78 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.141 -0.974 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.453 ' N ' HG12 ' A' ' 4' ' ' VAL . 5.0 t -132.37 -121.18 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.988 -1.07 . . . . 0.0 111.332 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 133.94 40.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.493 -1.38 . . . . 0.0 110.282 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.51 -36.33 4.32 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 -177.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.662 ' CB ' HG11 ' A' ' 4' ' ' VAL . 3.9 m-20 -150.05 77.47 1.32 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.842 -0.799 . . . . 0.0 108.956 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -83.79 110.77 18.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.032 -1.043 . . . . 0.0 111.32 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -142.82 50.09 1.46 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 12.1 t70 -88.97 157.1 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.684 -0.635 . . . . 0.0 110.524 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.531 -0.731 . . . . 0.0 110.505 -179.155 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.232 0.539 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -122.21 151.57 40.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -0.821 . . . . 0.0 110.161 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.646 HG23 ' HA ' ' A' ' 9' ' ' TYR . 3.8 p -124.85 149.75 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.925 -1.109 . . . . 0.0 111.581 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.84 156.28 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -76.79 77.78 3.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.53 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.95 -34.18 1.34 Allowed Glycine 0 N--CA 1.488 2.115 0 N-CA-C 107.406 -2.277 . . . . 0.0 107.406 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.39 64.36 0.69 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.646 ' HA ' HG23 ' A' ' 4' ' ' VAL . 63.7 m-85 -76.99 68.74 3.19 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.206 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.7 mm? -98.56 24.91 6.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.822 . . . . 0.0 109.907 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB2' ' HB ' ' A' ' 4' ' ' VAL . 4.7 t0 -84.43 -178.36 6.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.391 -0.818 . . . . 0.0 109.635 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.986 . . . . 0.0 110.625 -179.652 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.6 m . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 121.063 0.459 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -146.2 36.94 1.02 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 8' ' ' ASP . 8.3 p -151.03 168.96 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.025 -1.047 . . . . 0.0 111.113 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 6' ' ' ARG . 1.3 p -141.1 -87.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.152 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.727 ' H ' HG13 ' A' ' 5' ' ' VAL . 14.6 tpt180 -75.32 128.56 35.68 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.178 -0.951 . . . . 0.0 109.245 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.7 -33.59 6.43 Favored Glycine 0 N--CA 1.483 1.797 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.769 ' O ' HG13 ' A' ' 4' ' ' VAL . 2.0 m-20 -157.23 92.42 1.25 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.581 ' C ' HD12 ' A' ' 10' ' ' LEU . 79.3 m-85 -84.73 97.88 9.92 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.243 -0.911 . . . . 0.0 111.125 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 8' ' ' ASP . 5.0 mp -141.83 59.68 1.48 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -85.33 149.78 25.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.121 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.488 -0.757 . . . . 0.0 110.306 -179.093 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.989 0.423 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -144.48 -25.72 0.52 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.164 -0.96 . . . . 0.0 111.851 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 8' ' ' ASP . 7.3 p -88.44 165.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 110.809 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' N ' HG22 ' A' ' 4' ' ' VAL . 90.2 t -136.01 -75.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 121.715 0.769 . . . . 0.0 109.894 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 10.6 mtm180 -75.84 126.29 30.72 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.979 0.895 . . . . 0.0 109.638 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.22 -37.34 3.77 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 106.37 -2.692 . . . . 0.0 106.37 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.754 ' O ' HG13 ' A' ' 4' ' ' VAL . 2.9 m-20 -154.85 88.78 1.2 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 78.8 m-85 -77.38 80.97 3.87 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.209 -0.932 . . . . 0.0 109.654 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 9' ' ' TYR . 3.9 mp -112.42 59.58 0.63 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -88.05 142.05 28.09 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.982 . . . . 0.0 109.843 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.45 -0.781 . . . . 0.0 110.403 -178.776 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 121.044 0.45 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -93.94 161.2 14.4 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 109.298 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' A' ' 9' ' ' TYR . 9.8 p -147.93 109.21 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.051 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -93.37 132.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.573 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -74.45 116.54 15.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.889 -1.125 . . . . 0.0 110.486 -177.471 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.51 -40.65 1.82 Allowed Glycine 0 N--CA 1.484 1.87 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 5' ' ' VAL . 23.8 m-20 -151.97 64.77 0.85 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.832 -0.805 . . . . 0.0 109.398 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.686 ' HB2' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -94.96 155.25 16.82 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.148 0.975 . . . . 0.0 112.681 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 9' ' ' TYR . 46.3 mt -140.89 64.96 1.41 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 12' ' ' CYS . 48.6 p-10 -92.98 78.69 4.64 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.207 -0.933 . . . . 0.0 111.442 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 11' ' ' ASP . 24.9 p . . . . . 0 N--CA 1.504 2.243 0 O-C-N 121.816 -0.552 . . . . 0.0 111.796 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.81 134.4 26.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.075 -1.015 . . . . 0.0 110.72 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.538 HG23 ' CZ ' ' A' ' 9' ' ' TYR . 7.2 p -95.02 147.99 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.465 -0.772 . . . . 0.0 110.685 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -129.87 138.87 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.378 -0.826 . . . . 0.0 110.13 179.382 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.17 103.44 10.97 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.798 0.808 . . . . 0.0 110.087 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.55 -19.55 7.99 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 5' ' ' VAL . 8.2 m-20 -153.47 91.51 1.5 Allowed 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.318 -1.107 . . . . 0.0 109.336 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.538 ' CZ ' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -76.07 153.32 36.46 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.452 -0.78 . . . . 0.0 110.245 -179.199 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.52 -145.0 0.3 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.593 -0.692 . . . . 0.0 110.479 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -141.76 70.11 1.33 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.955 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.205 -0.934 . . . . 0.0 110.689 -179.68 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 121.036 0.446 . . . . 0.0 110.713 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -143.7 23.41 1.76 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.088 -1.007 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 8' ' ' ASP . 14.8 p -142.96 165.79 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.841 -1.162 . . . . 0.0 111.089 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.784 HG13 ' H ' ' A' ' 6' ' ' ARG . 1.5 p -142.39 -87.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.269 -0.894 . . . . 0.0 112.002 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.784 ' H ' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -74.9 126.49 31.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.063 -1.023 . . . . 0.0 110.38 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.56 -29.76 10.92 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 107.809 -2.117 . . . . 0.0 107.809 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.735 ' O ' HG13 ' A' ' 4' ' ' VAL . 6.3 m-20 -152.05 88.03 1.37 Allowed 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.414 ' C ' HD12 ' A' ' 10' ' ' LEU . 91.9 m-85 -80.15 59.03 3.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.317 -0.864 . . . . 0.0 110.786 -177.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.8 mp -100.84 67.55 1.24 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 12' ' ' CYS . 10.6 p-10 -95.26 50.55 1.26 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.519 -0.738 . . . . 0.0 110.574 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 11' ' ' ASP . 19.8 p . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 120.933 0.397 . . . . 0.0 111.821 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.189 0.518 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -132.55 25.19 4.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.181 -0.949 . . . . 0.0 110.518 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 8' ' ' ASP . 2.1 p -129.11 171.03 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.198 -0.939 . . . . 0.0 109.647 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.544 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 98.0 t -125.49 -84.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.079 -1.013 . . . . 0.0 112.061 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -74.6 120.08 19.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.104 -0.998 . . . . 0.0 110.651 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.03 -37.48 3.74 Favored Glycine 0 N--CA 1.484 1.855 0 N-CA-C 106.432 -2.667 . . . . 0.0 106.432 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.932 ' O ' HG13 ' A' ' 4' ' ' VAL . 3.0 m-20 -158.37 94.36 1.28 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 5' ' ' VAL . 57.7 m-85 -77.54 150.97 34.73 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 110.619 -177.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -95.19 46.6 1.12 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.466 -178.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -90.71 61.47 4.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m . . . . . 0 C--N 1.305 -1.368 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.179 -178.873 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.676 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.8 m -134.59 135.36 42.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.504 -0.747 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.515 ' HG2' HG23 ' A' ' 4' ' ' VAL . 16.4 ttm180 -90.49 -104.43 0.1 Allowed 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -140.21 178.23 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 120.602 -1.311 . . . . 0.0 109.763 178.325 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.851 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 36.7 t -94.86 -5.56 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.657 -1.277 . . . . 0.0 113.795 -175.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -71.04 76.44 0.66 Allowed 'General case' 0 C--N 1.289 -2.026 0 C-N-CA 118.066 -1.454 . . . . 0.0 107.173 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 5' ' ' VAL . . . 63.37 33.63 87.75 Favored Glycine 0 N--CA 1.476 1.313 0 N-CA-C 106.791 -2.523 . . . . 0.0 106.791 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 4' ' ' VAL . 6.6 m-20 -142.67 -10.35 0.81 Allowed 'General case' 0 N--CA 1.504 2.265 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.851 ' HB2' ' HA ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -84.14 156.73 21.98 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.332 -1.48 . . . . 0.0 112.166 -177.216 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.2 mm? -100.24 -101.19 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.006 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -131.11 14.59 5.17 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.202 -0.936 . . . . 0.0 110.06 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.5 16.77 22.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.2 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.404 ' O ' ' HB2' ' A' ' 2' ' ' CYS . . . . . . . . 0 C--O 1.216 -0.706 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' ACE . 69.4 m 55.88 106.26 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.53 -0.732 . . . . 0.0 110.612 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . 3.0 ptm180 -150.4 127.45 11.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.435 -0.79 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -105.29 -94.6 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.977 -1.077 . . . . 0.0 110.294 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -116.77 -178.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.133 -0.98 . . . . 0.0 110.89 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HA ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 mtt180 -76.2 -15.76 59.98 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.938 -1.102 . . . . 0.0 111.899 -177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.28 -28.1 68.67 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' O ' HG23 ' A' ' 4' ' ' VAL . 2.5 m-20 -160.29 83.99 0.71 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.511 -0.994 . . . . 0.0 110.109 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 1.6 m-85 -84.98 73.68 10.64 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.799 -1.188 . . . . 0.0 111.284 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -148.8 14.7 0.94 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.437 -0.789 . . . . 0.0 111.101 178.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.56 ' HB3' HG13 ' A' ' 4' ' ' VAL . 5.3 t70 -98.45 158.8 15.36 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.13 -0.981 . . . . 0.0 110.512 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.1 m -101.3 -17.38 16.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.278 -0.889 . . . . 0.0 110.397 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.624 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.7 m -88.02 83.89 7.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -112.61 165.18 12.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.358 -0.839 . . . . 0.0 109.928 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 11' ' ' ASP . 0.5 OUTLIER -138.52 158.23 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.978 -1.076 . . . . 0.0 111.19 179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -139.05 151.42 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -77.22 80.13 3.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.637 -1.289 . . . . 0.0 108.7 -179.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.83 -34.49 1.57 Allowed Glycine 0 N--CA 1.486 2.0 0 N-CA-C 107.316 -2.314 . . . . 0.0 107.316 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' HG23 ' A' ' 5' ' ' VAL . 2.0 m-20 -119.21 66.71 0.79 Allowed 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 68.2 m-85 -77.0 71.93 3.53 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.323 -0.86 . . . . 0.0 109.784 -178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.7 mm? -98.2 39.57 1.23 Allowed 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 12.6 p-10 -83.83 60.95 6.09 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 109.939 -178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASP . 31.4 p 29.61 44.74 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.072 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.443 0 O-C-N 119.804 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.687 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.16 -177.18 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.167 -0.958 . . . . 0.0 109.687 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.4 mtt-85 -98.4 173.24 7.06 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.118 -0.989 . . . . 0.0 109.285 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.541 ' O ' HG22 ' A' ' 4' ' ' VAL . 12.9 p -139.38 58.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.186 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 8' ' ' ASP . 2.0 m -89.86 135.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.7 111.58 7.98 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.216 1.008 . . . . 0.0 110.875 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.47 -41.77 1.47 Allowed Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 5' ' ' VAL . 3.1 m-20 -160.35 90.12 0.87 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.487 -1.007 . . . . 0.0 109.763 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.533 ' HB2' ' HA ' ' A' ' 4' ' ' VAL . 39.8 p90 -133.13 20.06 4.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.404 -0.81 . . . . 0.0 111.63 -179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' A' ' 10' ' ' LEU . 5.4 mt -117.98 64.19 0.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.154 -0.966 . . . . 0.0 109.757 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -122.93 -41.02 2.37 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.121 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m 52.25 72.77 0.37 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.433 -0.792 . . . . 0.0 110.447 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.786 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.645 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.6 m 54.42 70.29 0.63 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.372 -0.83 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -104.98 -63.52 1.22 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.148 -0.97 . . . . 0.0 109.993 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.612 HG22 ' H ' ' A' ' 5' ' ' VAL . 1.6 p -145.49 -159.63 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.738 -0.601 . . . . 0.0 110.463 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.612 ' H ' HG22 ' A' ' 4' ' ' VAL . 88.1 t -136.89 -72.41 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 120.916 -1.115 . . . . 0.0 110.595 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 4.1 ptt180 -76.29 119.78 20.64 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 122.0 0.905 . . . . 0.0 109.845 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.41 -32.57 7.39 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.52 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 2.0 m-20 -155.17 88.89 1.18 Allowed 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.711 ' C ' HD22 ' A' ' 10' ' ' LEU . 81.1 m-85 -84.26 88.93 7.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.497 -0.752 . . . . 0.0 110.966 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.711 HD22 ' C ' ' A' ' 9' ' ' TYR . 3.0 mm? -119.83 76.23 1.14 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -89.71 152.62 21.25 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.109 -0.994 . . . . 0.0 110.721 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.4 m -83.2 -12.35 56.95 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.597 -0.689 . . . . 0.0 110.108 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.255 0 O-C-N 119.773 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.65 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 155.02 21.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.283 -0.885 . . . . 0.0 110.111 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.1 mtm-85 -136.29 165.72 25.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 11' ' ' ASP . 4.7 p -140.14 154.05 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 119.03 -1.068 . . . . 0.0 112.161 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.24 146.3 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 5.0 ptt-85 -83.31 100.41 10.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.876 -1.14 . . . . 0.0 109.157 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 -23.4 3.61 Favored Glycine 0 N--CA 1.488 2.112 0 N-CA-C 107.551 -2.22 . . . . 0.0 107.551 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 5' ' ' VAL . 49.7 m-20 -146.58 84.87 1.63 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CD2' ' CG2' ' A' ' 4' ' ' VAL . 45.0 m-85 -82.47 116.69 22.03 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.293 -0.879 . . . . 0.0 111.782 -177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.54 45.14 1.62 Allowed 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.557 ' HB3' ' HB ' ' A' ' 4' ' ' VAL . 15.1 p-10 -99.03 75.7 2.06 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.551 -0.718 . . . . 0.0 111.459 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.8 m 50.64 40.79 24.77 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.293 -0.879 . . . . 0.0 110.92 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.794 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.0 m -137.46 101.25 4.45 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.394 -0.816 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 11.2 mtt180 -136.1 170.9 15.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.849 . . . . 0.0 109.637 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.96 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 t -143.03 101.64 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 C-N-CA 119.069 -1.052 . . . . 0.0 111.364 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.55 HG23 ' C ' ' A' ' 8' ' ' ASP . 2.7 m -94.92 140.54 16.58 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -73.81 100.29 3.42 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.449 -1.407 . . . . 0.0 112.307 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.9 -37.36 2.11 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 107.49 -2.244 . . . . 0.0 107.49 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.55 ' C ' HG23 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -133.61 49.66 2.27 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.952 -0.734 . . . . 0.0 109.719 179.039 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.843 ' HB2' HG22 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -90.11 99.18 12.25 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 119.023 -1.071 . . . . 0.0 112.625 -178.437 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.0 mp -107.0 76.99 1.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.96 ' HB2' HG23 ' A' ' 4' ' ' VAL . 18.1 t70 -90.03 119.07 30.07 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.408 -0.808 . . . . 0.0 110.053 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.4 m 57.88 31.02 19.97 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.58 -0.7 . . . . 0.0 109.423 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.769 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.666 ' H ' HD12 ' A' ' 10' ' ' LEU . 77.9 m 49.64 41.84 22.29 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.475 -0.765 . . . . 0.0 110.862 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.52 42.26 1.26 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.0 110.776 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.722 HG21 HD21 ' A' ' 10' ' ' LEU . 13.1 t -143.72 170.78 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.141 -0.974 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.453 ' N ' HG12 ' A' ' 4' ' ' VAL . 5.0 t -132.37 -121.18 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.988 -1.07 . . . . 0.0 111.332 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 133.94 40.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.493 -1.38 . . . . 0.0 110.282 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.51 -36.33 4.32 Favored Glycine 0 N--CA 1.483 1.771 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 -177.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.662 ' CB ' HG11 ' A' ' 4' ' ' VAL . 3.9 m-20 -150.05 77.47 1.32 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.842 -0.799 . . . . 0.0 108.956 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -83.79 110.77 18.6 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.032 -1.043 . . . . 0.0 111.32 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.722 HD21 HG21 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -142.82 50.09 1.46 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 178.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 12.1 t70 -88.97 157.1 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.684 -0.635 . . . . 0.0 110.524 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 p -135.81 61.13 1.66 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.531 -0.731 . . . . 0.0 110.505 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.829 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.08 85.21 5.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.28 -0.888 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -122.21 151.57 40.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.386 -0.821 . . . . 0.0 110.161 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.646 HG23 ' HA ' ' A' ' 9' ' ' TYR . 3.8 p -124.85 149.75 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.925 -1.109 . . . . 0.0 111.581 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.84 156.28 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -76.79 77.78 3.4 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 118.475 -1.29 . . . . 0.0 108.53 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.95 -34.18 1.34 Allowed Glycine 0 N--CA 1.488 2.115 0 N-CA-C 107.406 -2.277 . . . . 0.0 107.406 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.39 64.36 0.69 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.646 ' HA ' HG23 ' A' ' 4' ' ' VAL . 63.7 m-85 -76.99 68.74 3.19 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.206 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.7 mm? -98.56 24.91 6.9 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.384 -0.822 . . . . 0.0 109.907 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' HB2' ' HB ' ' A' ' 4' ' ' VAL . 4.7 t0 -84.43 -178.36 6.89 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.391 -0.818 . . . . 0.0 109.635 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p -120.19 26.22 9.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.986 . . . . 0.0 110.625 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.494 0 O-C-N 120.014 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.792 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 70.6 m 52.7 87.73 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.529 -0.732 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -146.2 36.94 1.02 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.191 -0.943 . . . . 0.0 110.819 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 8' ' ' ASP . 8.3 p -151.03 168.96 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.025 -1.047 . . . . 0.0 111.113 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 6' ' ' ARG . 1.3 p -141.1 -87.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.152 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.727 ' H ' HG13 ' A' ' 5' ' ' VAL . 14.6 tpt180 -75.32 128.56 35.68 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.178 -0.951 . . . . 0.0 109.245 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.7 -33.59 6.43 Favored Glycine 0 N--CA 1.483 1.797 0 N-CA-C 106.972 -2.451 . . . . 0.0 106.972 -177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.769 ' O ' HG13 ' A' ' 4' ' ' VAL . 2.0 m-20 -157.23 92.42 1.25 Allowed 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.581 ' C ' HD12 ' A' ' 10' ' ' LEU . 79.3 m-85 -84.73 97.88 9.92 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.243 -0.911 . . . . 0.0 111.125 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 8' ' ' ASP . 5.0 mp -141.83 59.68 1.48 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -85.33 149.78 25.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.121 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -101.51 36.86 1.92 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.488 -0.757 . . . . 0.0 110.306 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.74 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.5 m -99.01 92.61 5.58 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.459 -0.776 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -144.48 -25.72 0.52 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.164 -0.96 . . . . 0.0 111.851 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.754 HG13 ' O ' ' A' ' 8' ' ' ASP . 7.3 p -88.44 165.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.444 -0.785 . . . . 0.0 110.809 -178.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' N ' HG22 ' A' ' 4' ' ' VAL . 90.2 t -136.01 -75.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 121.715 0.769 . . . . 0.0 109.894 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 10.6 mtm180 -75.84 126.29 30.72 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.979 0.895 . . . . 0.0 109.638 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.22 -37.34 3.77 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 106.37 -2.692 . . . . 0.0 106.37 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.754 ' O ' HG13 ' A' ' 4' ' ' VAL . 2.9 m-20 -154.85 88.78 1.2 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 78.8 m-85 -77.38 80.97 3.87 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.209 -0.932 . . . . 0.0 109.654 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 9' ' ' TYR . 3.9 mp -112.42 59.58 0.63 Allowed 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -88.05 142.05 28.09 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.13 -0.982 . . . . 0.0 109.843 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.9 m -133.88 50.92 2.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.45 -0.781 . . . . 0.0 110.403 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 88.8 m -116.3 130.18 56.65 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.443 -0.786 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -93.94 161.2 14.4 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.33 -0.856 . . . . 0.0 109.298 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' A' ' 9' ' ' TYR . 9.8 p -147.93 109.21 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 119.552 -0.859 . . . . 0.0 111.051 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -93.37 132.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.573 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -74.45 116.54 15.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 118.889 -1.125 . . . . 0.0 110.486 -177.471 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.51 -40.65 1.82 Allowed Glycine 0 N--CA 1.484 1.87 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 5' ' ' VAL . 23.8 m-20 -151.97 64.77 0.85 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.832 -0.805 . . . . 0.0 109.398 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.686 ' HB2' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -94.96 155.25 16.82 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.148 0.975 . . . . 0.0 112.681 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 9' ' ' TYR . 46.3 mt -140.89 64.96 1.41 Allowed 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.517 ' O ' ' C ' ' A' ' 12' ' ' CYS . 48.6 p-10 -92.98 78.69 4.64 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.207 -0.933 . . . . 0.0 111.442 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 11' ' ' ASP . 24.9 p 25.8 47.61 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.816 -0.552 . . . . 0.0 111.796 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' A' ' 11' ' ' ASP . . . . . . . . 0 C--N 1.303 -1.414 0 O-C-N 119.93 -1.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.708 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -88.14 -161.41 0.72 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.36 -0.838 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.81 134.4 26.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.075 -1.015 . . . . 0.0 110.72 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.538 HG23 ' CZ ' ' A' ' 9' ' ' TYR . 7.2 p -95.02 147.99 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.465 -0.772 . . . . 0.0 110.685 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -129.87 138.87 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.378 -0.826 . . . . 0.0 110.13 179.382 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.17 103.44 10.97 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.798 0.808 . . . . 0.0 110.087 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.55 -19.55 7.99 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 5' ' ' VAL . 8.2 m-20 -153.47 91.51 1.5 Allowed 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.318 -1.107 . . . . 0.0 109.336 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.538 ' CZ ' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -76.07 153.32 36.46 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.452 -0.78 . . . . 0.0 110.245 -179.199 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.52 -145.0 0.3 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.593 -0.692 . . . . 0.0 110.479 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -141.76 70.11 1.33 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.955 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m -133.31 33.18 3.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.205 -0.934 . . . . 0.0 110.689 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 1.0 OUTLIER 51.52 61.48 3.21 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.372 -0.83 . . . . 0.0 110.713 . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -143.7 23.41 1.76 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.088 -1.007 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 8' ' ' ASP . 14.8 p -142.96 165.79 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.841 -1.162 . . . . 0.0 111.089 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.784 HG13 ' H ' ' A' ' 6' ' ' ARG . 1.5 p -142.39 -87.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.269 -0.894 . . . . 0.0 112.002 -178.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.784 ' H ' HG13 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -74.9 126.49 31.09 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.063 -1.023 . . . . 0.0 110.38 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.56 -29.76 10.92 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 107.809 -2.117 . . . . 0.0 107.809 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.735 ' O ' HG13 ' A' ' 4' ' ' VAL . 6.3 m-20 -152.05 88.03 1.37 Allowed 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' C ' HD12 ' A' ' 10' ' ' LEU . 91.9 m-85 -80.15 59.03 3.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.317 -0.864 . . . . 0.0 110.786 -177.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 10' ' ' LEU . 10.8 mp -100.84 67.55 1.24 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 12' ' ' CYS . 10.6 p-10 -95.26 50.55 1.26 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.519 -0.738 . . . . 0.0 110.574 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 11' ' ' ASP . 19.8 p 29.86 45.03 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 120.933 0.397 . . . . 0.0 111.821 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.829 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.712 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.35 85.52 3.0 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.425 -0.797 . . . . 0.0 109.873 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -132.55 25.19 4.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.181 -0.949 . . . . 0.0 110.518 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.932 HG13 ' O ' ' A' ' 8' ' ' ASP . 2.1 p -129.11 171.03 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.198 -0.939 . . . . 0.0 109.647 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.544 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 98.0 t -125.49 -84.39 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.079 -1.013 . . . . 0.0 112.061 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -74.6 120.08 19.67 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.104 -0.998 . . . . 0.0 110.651 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.03 -37.48 3.74 Favored Glycine 0 N--CA 1.484 1.855 0 N-CA-C 106.432 -2.667 . . . . 0.0 106.432 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.932 ' O ' HG13 ' A' ' 4' ' ' VAL . 3.0 m-20 -158.37 94.36 1.28 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 177.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 5' ' ' VAL . 57.7 m-85 -77.54 150.97 34.73 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.295 -0.878 . . . . 0.0 110.619 -177.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -95.19 46.6 1.12 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.466 -178.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -90.71 61.47 4.81 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -96.5 34.47 1.63 Allowed 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.179 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_