data_1nct_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 1nct _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' -6' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 22.0 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.377 0.608 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' -4' ' ' THR . 0.0 OUTLIER -51.26 -39.78 57.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.477 -0.765 . . . . 0.0 110.424 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.467 ' N ' ' CD ' ' A' ' -5' ' ' LYS . 1.0 OUTLIER -89.57 -81.59 0.28 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.188 -0.945 . . . . 0.0 109.898 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' THR . . . . . . . . . . . . . 4.6 t -176.93 28.37 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.312 -0.868 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.408 ' HB2' ' HB2' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -85.67 -153.4 0.18 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.885 -1.134 . . . . 0.0 110.088 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -174.29 -114.85 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . 0.447 ' CB ' ' HA3' ' A' ' 79' ' ' GLY . . . -145.48 119.22 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.582 -1.324 . . . . 0.0 110.237 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.04 121.28 12.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.413 -0.804 . . . . 0.0 109.694 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.448 HD13 ' CA ' ' A' ' 82' ' ' GLU . 37.5 mt -74.28 90.04 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.197 -0.939 . . . . 0.0 110.733 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 tt -49.02 -36.56 18.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.389 -0.819 . . . . 0.0 109.897 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.5 m -151.77 145.57 25.09 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HB2' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -109.12 176.93 1.37 Allowed Pre-proline 0 C--N 1.301 -1.505 0 O-C-N 120.982 -1.074 . . . . 0.0 110.375 -179.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.488 ' HG2' ' CE2' ' A' ' 85' ' ' PHE . 43.7 Cg_endo -90.34 118.89 0.71 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 O-C-N 123.85 1.448 . . . . 0.0 110.604 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -56.56 176.12 0.1 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.102 -0.999 . . . . 0.0 109.505 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 85' ' ' PHE . 15.2 m -100.8 -164.61 1.13 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.046 -1.034 . . . . 0.0 110.498 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.0 tpp -177.79 -176.67 0.59 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.554 -0.717 . . . . 0.0 109.499 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.4 m -163.95 119.62 1.6 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.324 -0.86 . . . . 0.0 110.265 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 13' ' ' GLU . 26.6 m -131.83 177.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.341 -0.85 . . . . 0.0 109.865 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -84.74 -27.53 26.87 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.223 -0.923 . . . . 0.0 108.863 178.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 20.8 pt-20 -155.57 -128.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.463 -0.773 . . . . 0.0 109.544 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 13' ' ' GLU . . . -99.89 58.17 0.8 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.12 -81.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.226 -1.161 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.78 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.149 -0.97 . . . . 0.0 109.893 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.15 123.09 29.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 0.0 109.806 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.72 147.01 31.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 0.0 110.408 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CE2' ' CD2' ' A' ' 87' ' ' LEU . 41.0 m-85 -136.51 176.84 8.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.324 -0.86 . . . . 0.0 110.542 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 4.5 t -176.0 131.52 0.24 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.288 -0.883 . . . . 0.0 110.901 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' HD3' ' A' ' 6' ' ' PRO . 25.9 p -123.37 124.88 43.92 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 5.9 m-20 -90.23 111.69 22.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.657 -1.277 . . . . 0.0 110.003 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.449 HG23 ' CG1' ' A' ' 74' ' ' VAL . 24.1 p -117.59 134.07 55.27 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.234 -0.916 . . . . 0.0 110.518 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.39 164.49 12.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.542 -0.723 . . . . 0.0 110.257 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.36 165.45 27.74 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' CG ' ' HG3' ' A' ' -5' ' ' LYS . 2.9 tp10 -125.51 137.05 29.15 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.063 -1.257 . . . . 0.0 110.47 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.59 -26.97 8.44 Favored 'Cis proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.707 -1.789 . . . . 0.0 109.532 -0.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.9 t -149.55 141.1 14.71 Favored Pre-proline 0 C--N 1.298 -1.638 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 53.2 Cg_endo -77.93 -173.61 1.89 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 O-C-N 123.586 1.308 . . . . 0.0 110.645 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -147.39 147.64 30.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.339 -0.851 . . . . 0.0 109.631 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG13 ' CG2' ' A' ' 50' ' ' THR . 9.8 p -129.18 132.93 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.133 -0.979 . . . . 0.0 110.679 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.467 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 11.8 m -131.41 104.07 6.79 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.152 -0.968 . . . . 0.0 108.39 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.512 ' CE3' ' HB ' ' A' ' 72' ' ' VAL . 72.8 m95 -76.4 131.45 39.12 Favored 'General case' 0 C--N 1.286 -2.172 0 O-C-N 121.371 -0.831 . . . . 0.0 110.068 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD22 ' CG2' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -174.33 151.47 1.62 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.335 -0.853 . . . . 0.0 110.65 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' CB ' ' HA ' ' A' ' 70' ' ' TYR . 23.6 tpt180 -169.48 -40.72 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.735 0.779 . . . . 0.0 109.228 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.16 34.27 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.755 -0.591 . . . . 0.0 109.66 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.25 31.77 2.32 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.411 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 7.7 tm0? 52.8 85.29 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.102 -1.234 . . . . 0.0 110.222 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.453 ' O ' HG21 ' A' ' 39' ' ' VAL . 29.4 m 38.23 96.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 CA-C-O 122.289 1.042 . . . . 0.0 111.283 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 70' ' ' TYR . 5.4 mp -42.19 -31.28 0.36 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.703 -0.623 . . . . 0.0 110.473 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' THR . 33.8 p -33.09 90.83 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' SER . 22.5 p 21.56 50.17 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.44 ' HB2' ' NE2' ' A' ' 46' ' ' HIS . 1.9 m -53.52 -50.36 65.6 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.464 -0.772 . . . . 0.0 110.254 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 174.44 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.398 -0.814 . . . . 0.0 109.729 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HB3' ' OE1' ' A' ' 63' ' ' GLN . 4.1 mtt180 -103.41 -20.46 14.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.475 -0.766 . . . . 0.0 109.778 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.44 ' NE2' ' HB2' ' A' ' 43' ' ' SER . 0.0 OUTLIER -115.5 168.71 9.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.392 -0.818 . . . . 0.0 109.614 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -143.78 103.15 4.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.156 -0.965 . . . . 0.0 110.126 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.502 HG21 ' CD1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -103.19 -176.93 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 120.97 -1.081 . . . . 0.0 109.824 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.431 ' CG2' ' OG1' ' A' ' 56' ' ' THR . 3.4 t -171.08 174.15 4.78 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.556 -0.715 . . . . 0.0 109.254 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.501 ' CG2' HG13 ' A' ' 31' ' ' VAL . 6.1 m -159.26 156.46 28.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.035 -1.041 . . . . 0.0 110.234 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -117.68 -84.47 0.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.075 -1.015 . . . . 0.0 109.821 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -138.15 -68.07 0.46 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.228 -0.92 . . . . 0.0 109.403 179.409 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 32.8 m-85 -115.91 29.49 7.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.385 -0.822 . . . . 0.0 109.265 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.06 117.06 1.41 Allowed 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.299 0.571 . . . . 0.0 109.597 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.453 ' OG ' HG13 ' A' ' 31' ' ' VAL . 3.5 t -98.66 175.93 5.82 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.145 -0.972 . . . . 0.0 110.124 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 1.8 p -152.82 146.25 24.9 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.407 -0.808 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CD1' HG21 ' A' ' 48' ' ' VAL . 3.9 t80 -136.55 128.06 28.6 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.488 -0.758 . . . . 0.0 110.238 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.33 141.86 50.97 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.171 -0.955 . . . . 0.0 109.167 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.491 HG12 ' CZ ' ' A' ' 57' ' ' PHE . 16.0 mt -119.38 133.51 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.932 -1.105 . . . . 0.0 110.821 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.409 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 2.8 m -163.24 16.35 0.07 Allowed 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.149 0.499 . . . . 0.0 110.733 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -131.49 -1.94 3.87 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.118 -0.989 . . . . 0.0 110.882 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG2' HG13 ' A' ' 89' ' ' ILE . 12.3 p -40.41 144.71 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.483 -0.761 . . . . 0.0 111.704 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 7.8 mp0 -110.08 -74.78 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.398 -0.814 . . . . 0.0 110.117 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -165.61 27.32 0.05 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.191 -0.943 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -150.66 17.33 0.8 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.088 -1.008 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB2' ' CG2' ' A' ' 62' ' ' VAL . 2.4 m-20 -88.3 -14.14 39.06 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.024 -1.048 . . . . 0.0 110.276 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' O ' ' CD1' ' A' ' 89' ' ' ILE . 0.1 OUTLIER 52.01 -167.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.17 -0.956 . . . . 0.0 110.797 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' ' 88' ' ' THR . . . -104.89 -83.02 1.64 Allowed Glycine 0 N--CA 1.483 1.808 0 C-N-CA 119.753 -1.213 . . . . 0.0 111.147 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 6.6 m-20 -29.96 112.5 0.08 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.503 ' CD1' HD13 ' A' ' 40' ' ' LEU . 2.5 m-85 -135.66 154.64 51.23 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.63 -168.31 2.88 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.345 -1.472 . . . . 0.0 112.099 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.512 ' HB ' ' CE3' ' A' ' 33' ' ' TRP . 5.8 p -153.78 110.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.276 0 O-C-N 121.593 -0.692 . . . . 0.0 111.215 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 32' ' ' THR . 27.6 m -87.64 83.06 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.978 -1.076 . . . . 0.0 109.939 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.499 ' CG2' ' CG2' ' A' ' 31' ' ' VAL . 15.0 t -81.43 124.29 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.196 -0.94 . . . . 0.0 109.844 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -143.6 -162.61 1.49 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.318 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.486 ' HB2' ' HA ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -169.9 -170.71 1.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.857 -1.152 . . . . 0.0 110.787 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 74.5 p -35.18 -31.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.476 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' ASN . 1.3 pt-20 -150.45 -11.7 0.25 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.163 -0.96 . . . . 0.0 112.336 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 0' ' ' ALA . . . -88.08 166.62 35.43 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -158.28 74.72 0.71 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.303 -1.116 . . . . 0.0 110.324 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -112.9 176.84 4.85 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.242 -0.911 . . . . 0.0 110.165 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.448 ' CA ' HD13 ' A' ' 2' ' ' ILE . 0.6 OUTLIER -159.37 -179.17 7.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.1 -1.0 . . . . 0.0 110.456 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -147.63 171.59 15.37 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -145.75 157.43 43.94 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.488 ' CE2' ' HG2' ' A' ' 6' ' ' PRO . 32.6 p90 -177.93 131.68 0.15 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 69' ' ' ASN . 4.9 p -93.27 123.54 36.62 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 119.204 -0.998 . . . . 0.0 111.391 -178.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.522 ' CD2' ' CE2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -117.78 81.25 1.63 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.863 0.84 . . . . 0.0 109.099 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.442 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -74.46 164.44 26.59 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 122.034 0.921 . . . . 0.0 112.017 -177.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -142.09 48.68 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-O 121.507 0.67 . . . . 0.0 110.007 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.52 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -37.77 114.92 0.38 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.828 0.823 . . . . 0.0 111.879 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.291 -1.964 0 O-C-N 120.989 -1.07 . . . . 0.0 111.185 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -6' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.377 0.608 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' LYS . . . . . 0.907 ' CD ' HG23 ' A' ' -4' ' ' THR . 0.0 OUTLIER -51.26 -39.78 57.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.477 -0.765 . . . . 0.0 110.424 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.907 HG23 ' CD ' ' A' ' -5' ' ' LYS . 1.0 OUTLIER -89.57 -81.59 0.28 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.188 -0.945 . . . . 0.0 109.898 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' -3' ' ' THR . . . . . . . . . . . . . 4.6 t -176.93 28.37 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.312 -0.868 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -85.67 -153.4 0.18 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.885 -1.134 . . . . 0.0 110.088 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.445 ' HA ' ' OD1' ' A' ' 76' ' ' ASN . . . -174.29 -114.85 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ALA . . . . . 0.819 ' HB2' ' HB3' ' A' ' 76' ' ' ASN . . . -145.48 119.22 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.582 -1.324 . . . . 0.0 110.237 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.04 121.28 12.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.413 -0.804 . . . . 0.0 109.694 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.551 HD12 ' O ' ' A' ' 82' ' ' GLU . 37.5 mt -74.28 90.04 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.197 -0.939 . . . . 0.0 110.733 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.682 HD23 ' OG1' ' A' ' 4' ' ' THR . 5.6 tt -49.02 -36.56 18.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.389 -0.819 . . . . 0.0 109.897 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.682 ' OG1' HD23 ' A' ' 3' ' ' LEU . 87.5 m -151.77 145.57 25.09 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.542 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -109.12 176.93 1.37 Allowed Pre-proline 0 C--N 1.301 -1.505 0 O-C-N 120.982 -1.074 . . . . 0.0 110.375 -179.294 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.507 ' HG2' ' CE2' ' A' ' 85' ' ' PHE . 43.7 Cg_endo -90.34 118.89 0.71 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 O-C-N 123.85 1.448 . . . . 0.0 110.604 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -56.56 176.12 0.1 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.102 -0.999 . . . . 0.0 109.505 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.418 ' HA ' HD11 ' A' ' 87' ' ' LEU . 15.2 m -100.8 -164.61 1.13 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.046 -1.034 . . . . 0.0 110.498 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.0 tpp -177.79 -176.67 0.59 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.554 -0.717 . . . . 0.0 109.499 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.4 m -163.95 119.62 1.6 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.324 -0.86 . . . . 0.0 110.265 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 13' ' ' GLU . 26.6 m -131.83 177.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.341 -0.85 . . . . 0.0 109.865 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -84.74 -27.53 26.87 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.223 -0.923 . . . . 0.0 108.863 178.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 20.8 pt-20 -155.57 -128.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.463 -0.773 . . . . 0.0 109.544 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 60' ' ' SER . . . -99.89 58.17 0.8 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.12 -81.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.226 -1.161 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.78 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.149 -0.97 . . . . 0.0 109.893 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.15 123.09 29.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 0.0 109.806 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.72 147.01 31.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 0.0 110.408 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CE2' HD21 ' A' ' 87' ' ' LEU . 41.0 m-85 -136.51 176.84 8.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.324 -0.86 . . . . 0.0 110.542 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.745 ' HB2' HG22 ' A' ' 56' ' ' THR . 4.5 t -176.0 131.52 0.24 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.288 -0.883 . . . . 0.0 110.901 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' HB3' ' HD3' ' A' ' 6' ' ' PRO . 25.9 p -123.37 124.88 43.92 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 5.9 m-20 -90.23 111.69 22.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.657 -1.277 . . . . 0.0 110.003 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.76 HG21 HG11 ' A' ' 74' ' ' VAL . 24.1 p -117.59 134.07 55.27 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.234 -0.916 . . . . 0.0 110.518 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.39 164.49 12.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.542 -0.723 . . . . 0.0 110.257 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.36 165.45 27.74 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HB2' ' HB2' ' A' ' -2' ' ' LEU . 2.9 tp10 -125.51 137.05 29.15 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.063 -1.257 . . . . 0.0 110.47 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 26' ' ' GLU . 47.5 Cg_endo -73.59 -26.97 8.44 Favored 'Cis proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.707 -1.789 . . . . 0.0 109.532 -0.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 27' ' ' PRO . 14.9 t -149.55 141.1 14.71 Favored Pre-proline 0 C--N 1.298 -1.638 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 53.2 Cg_endo -77.93 -173.61 1.89 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 O-C-N 123.586 1.308 . . . . 0.0 110.645 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' HG13 ' A' ' 74' ' ' VAL . 1.9 m -147.39 147.64 30.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.339 -0.851 . . . . 0.0 109.631 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.994 HG23 ' CG2' ' A' ' 74' ' ' VAL . 9.8 p -129.18 132.93 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.133 -0.979 . . . . 0.0 110.679 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.814 ' O ' HD23 ' A' ' 34' ' ' LEU . 11.8 m -131.41 104.07 6.79 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.152 -0.968 . . . . 0.0 108.39 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.635 ' HB3' HD22 ' A' ' 40' ' ' LEU . 72.8 m95 -76.4 131.45 39.12 Favored 'General case' 0 C--N 1.286 -2.172 0 O-C-N 121.371 -0.831 . . . . 0.0 110.068 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.861 HD21 HG22 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -174.33 151.47 1.62 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.335 -0.853 . . . . 0.0 110.65 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' CB ' ' HA ' ' A' ' 70' ' ' TYR . 23.6 tpt180 -169.48 -40.72 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.735 0.779 . . . . 0.0 109.228 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.16 34.27 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.755 -0.591 . . . . 0.0 109.66 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.25 31.77 2.32 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' C ' HG22 ' A' ' 39' ' ' VAL . 7.7 tm0? 52.8 85.29 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.102 -1.234 . . . . 0.0 110.222 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.505 HG22 ' C ' ' A' ' 38' ' ' GLN . 29.4 m 38.23 96.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 CA-C-O 122.289 1.042 . . . . 0.0 111.283 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.716 HD13 ' HA ' ' A' ' 34' ' ' LEU . 5.4 mp -42.19 -31.28 0.36 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.703 -0.623 . . . . 0.0 110.473 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' THR . 33.8 p -33.09 90.83 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 47' ' ' GLN . 22.5 p 21.56 50.17 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.566 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 1.9 m -53.52 -50.36 65.6 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.464 -0.772 . . . . 0.0 110.254 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 43' ' ' SER . . . 174.44 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.398 -0.814 . . . . 0.0 109.729 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.464 ' HB3' ' HA ' ' A' ' 62' ' ' VAL . 4.1 mtt180 -103.41 -20.46 14.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.475 -0.766 . . . . 0.0 109.778 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.466 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -115.5 168.71 9.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.392 -0.818 . . . . 0.0 109.614 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.514 ' HA ' HG22 ' A' ' 42' ' ' THR . 8.3 tp-100 -143.78 103.15 4.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.156 -0.965 . . . . 0.0 110.126 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.723 HG23 ' CD1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -103.19 -176.93 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 120.97 -1.081 . . . . 0.0 109.824 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.821 HG23 ' OG1' ' A' ' 56' ' ' THR . 3.4 t -171.08 174.15 4.78 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.556 -0.715 . . . . 0.0 109.254 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' SER . 6.1 m -159.26 156.46 28.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.035 -1.041 . . . . 0.0 110.234 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -117.68 -84.47 0.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.075 -1.015 . . . . 0.0 109.821 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -138.15 -68.07 0.46 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.228 -0.92 . . . . 0.0 109.403 179.409 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 32.8 m-85 -115.91 29.49 7.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.385 -0.822 . . . . 0.0 109.265 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.06 117.06 1.41 Allowed 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.299 0.571 . . . . 0.0 109.597 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.933 ' OG ' HG11 ' A' ' 31' ' ' VAL . 3.5 t -98.66 175.93 5.82 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.145 -0.972 . . . . 0.0 110.124 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.821 ' OG1' HG23 ' A' ' 49' ' ' THR . 1.8 p -152.82 146.25 24.9 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.407 -0.808 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.723 ' CD1' HG23 ' A' ' 48' ' ' VAL . 3.9 t80 -136.55 128.06 28.6 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.488 -0.758 . . . . 0.0 110.238 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -129.33 141.86 50.97 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.171 -0.955 . . . . 0.0 109.167 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.544 HD11 HD23 ' A' ' 87' ' ' LEU . 16.0 mt -119.38 133.51 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.932 -1.105 . . . . 0.0 110.821 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.462 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 2.8 m -163.24 16.35 0.07 Allowed 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.149 0.499 . . . . 0.0 110.733 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 45' ' ' ARG . 2.2 t -131.49 -1.94 3.87 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.118 -0.989 . . . . 0.0 110.882 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.84 HG23 ' HB2' ' A' ' 66' ' ' ASP . 12.3 p -40.41 144.71 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.483 -0.761 . . . . 0.0 111.704 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.454 ' HB2' ' HD3' ' A' ' 45' ' ' ARG . 7.8 mp0 -110.08 -74.78 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.398 -0.814 . . . . 0.0 110.117 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -165.61 27.32 0.05 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.191 -0.943 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -150.66 17.33 0.8 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.088 -1.008 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.84 ' HB2' HG23 ' A' ' 62' ' ' VAL . 2.4 m-20 -88.3 -14.14 39.06 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.024 -1.048 . . . . 0.0 110.276 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER 52.01 -167.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.17 -0.956 . . . . 0.0 110.797 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 88' ' ' THR . . . -104.89 -83.02 1.64 Allowed Glycine 0 N--CA 1.483 1.808 0 C-N-CA 119.753 -1.213 . . . . 0.0 111.147 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 6.6 m-20 -29.96 112.5 0.08 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.673 ' CD1' HD11 ' A' ' 40' ' ' LEU . 2.5 m-85 -135.66 154.64 51.23 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.63 -168.31 2.88 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.345 -1.472 . . . . 0.0 112.099 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.881 HG22 HG23 ' A' ' 74' ' ' VAL . 5.8 p -153.78 110.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.276 0 O-C-N 121.593 -0.692 . . . . 0.0 111.215 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.861 HG22 HD21 ' A' ' 34' ' ' LEU . 27.6 m -87.64 83.06 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.978 -1.076 . . . . 0.0 109.939 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.994 ' CG2' HG23 ' A' ' 31' ' ' VAL . 15.0 t -81.43 124.29 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.196 -0.94 . . . . 0.0 109.844 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -143.6 -162.61 1.49 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.318 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.819 ' HB3' ' HB2' ' A' ' 0' ' ' ALA . 0.1 OUTLIER -169.9 -170.71 1.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.857 -1.152 . . . . 0.0 110.787 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 74.5 p -35.18 -31.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.476 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' ASN . 1.3 pt-20 -150.45 -11.7 0.25 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.163 -0.96 . . . . 0.0 112.336 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.577 ' HA3' ' HB3' ' A' ' 0' ' ' ALA . . . -88.08 166.62 35.43 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -158.28 74.72 0.71 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.303 -1.116 . . . . 0.0 110.324 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -112.9 176.84 4.85 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.242 -0.911 . . . . 0.0 110.165 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.551 ' O ' HD12 ' A' ' 2' ' ' ILE . 0.6 OUTLIER -159.37 -179.17 7.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.1 -1.0 . . . . 0.0 110.456 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.86 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . . . -147.63 171.59 15.37 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -145.75 157.43 43.94 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CE1' HD22 ' A' ' 87' ' ' LEU . 32.6 p90 -177.93 131.68 0.15 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 69' ' ' ASN . 4.9 p -93.27 123.54 36.62 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 119.204 -0.998 . . . . 0.0 111.391 -178.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.611 HD22 ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -117.78 81.25 1.63 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.863 0.84 . . . . 0.0 109.099 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -74.46 164.44 26.59 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 122.034 0.921 . . . . 0.0 112.017 -177.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.798 HD13 ' H ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -142.09 48.68 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-O 121.507 0.67 . . . . 0.0 110.007 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.52 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -37.77 114.92 0.38 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.828 0.823 . . . . 0.0 111.879 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.291 -1.964 0 O-C-N 120.989 -1.07 . . . . 0.0 111.185 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.377 0.608 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' LYS . . . . . 0.907 ' CD ' HG23 ' A' ' -4' ' ' THR . 0.0 OUTLIER -51.26 -39.78 57.44 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.477 -0.765 . . . . 0.0 110.424 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.907 HG23 ' CD ' ' A' ' -5' ' ' LYS . 1.0 OUTLIER -89.57 -81.59 0.28 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.188 -0.945 . . . . 0.0 109.898 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' THR . . . . . . . . . . . . . 4.6 t -176.93 28.37 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.312 -0.868 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -85.67 -153.4 0.18 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.885 -1.134 . . . . 0.0 110.088 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.445 ' HA ' ' OD1' ' A' ' 76' ' ' ASN . . . -174.29 -114.85 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . 0.819 ' HB2' ' HB3' ' A' ' 76' ' ' ASN . . . -145.48 119.22 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.582 -1.324 . . . . 0.0 110.237 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.04 121.28 12.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.413 -0.804 . . . . 0.0 109.694 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.551 HD12 ' O ' ' A' ' 82' ' ' GLU . 37.5 mt -74.28 90.04 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.197 -0.939 . . . . 0.0 110.733 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.682 HD23 ' OG1' ' A' ' 4' ' ' THR . 5.6 tt -49.02 -36.56 18.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.389 -0.819 . . . . 0.0 109.897 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.682 ' OG1' HD23 ' A' ' 3' ' ' LEU . 87.5 m -151.77 145.57 25.09 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.542 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -109.12 176.93 1.37 Allowed Pre-proline 0 C--N 1.301 -1.505 0 O-C-N 120.982 -1.074 . . . . 0.0 110.375 -179.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.507 ' HG2' ' CE2' ' A' ' 85' ' ' PHE . 43.7 Cg_endo -90.34 118.89 0.71 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 O-C-N 123.85 1.448 . . . . 0.0 110.604 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -56.56 176.12 0.1 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.102 -0.999 . . . . 0.0 109.505 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.418 ' HA ' HD11 ' A' ' 87' ' ' LEU . 15.2 m -100.8 -164.61 1.13 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.046 -1.034 . . . . 0.0 110.498 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.0 tpp -177.79 -176.67 0.59 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.554 -0.717 . . . . 0.0 109.499 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.4 m -163.95 119.62 1.6 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.324 -0.86 . . . . 0.0 110.265 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 13' ' ' GLU . 26.6 m -131.83 177.89 6.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.341 -0.85 . . . . 0.0 109.865 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -84.74 -27.53 26.87 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.223 -0.923 . . . . 0.0 108.863 178.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 20.8 pt-20 -155.57 -128.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.463 -0.773 . . . . 0.0 109.544 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' A' ' 60' ' ' SER . . . -99.89 58.17 0.8 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.12 -81.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.226 -1.161 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.78 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.149 -0.97 . . . . 0.0 109.893 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.15 123.09 29.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 0.0 109.806 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.72 147.01 31.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 0.0 110.408 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.592 ' CE2' HD21 ' A' ' 87' ' ' LEU . 41.0 m-85 -136.51 176.84 8.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.324 -0.86 . . . . 0.0 110.542 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.745 ' HB2' HG22 ' A' ' 56' ' ' THR . 4.5 t -176.0 131.52 0.24 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.288 -0.883 . . . . 0.0 110.901 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' HB3' ' HD3' ' A' ' 6' ' ' PRO . 25.9 p -123.37 124.88 43.92 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 5.9 m-20 -90.23 111.69 22.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.657 -1.277 . . . . 0.0 110.003 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.76 HG21 HG11 ' A' ' 74' ' ' VAL . 24.1 p -117.59 134.07 55.27 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.234 -0.916 . . . . 0.0 110.518 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.39 164.49 12.15 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.542 -0.723 . . . . 0.0 110.257 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 170.36 165.45 27.74 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HB2' ' HB2' ' A' ' -2' ' ' LEU . 2.9 tp10 -125.51 137.05 29.15 Favored Pre-proline 0 N--CA 1.492 1.663 0 O-C-N 121.063 -1.257 . . . . 0.0 110.47 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 26' ' ' GLU . 47.5 Cg_endo -73.59 -26.97 8.44 Favored 'Cis proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.707 -1.789 . . . . 0.0 109.532 -0.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 27' ' ' PRO . 14.9 t -149.55 141.1 14.71 Favored Pre-proline 0 C--N 1.298 -1.638 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HA ' ' HB2' ' A' ' 76' ' ' ASN . 53.2 Cg_endo -77.93 -173.61 1.89 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 O-C-N 123.586 1.308 . . . . 0.0 110.645 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' HG13 ' A' ' 74' ' ' VAL . 1.9 m -147.39 147.64 30.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.339 -0.851 . . . . 0.0 109.631 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.994 HG23 ' CG2' ' A' ' 74' ' ' VAL . 9.8 p -129.18 132.93 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.133 -0.979 . . . . 0.0 110.679 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.814 ' O ' HD23 ' A' ' 34' ' ' LEU . 11.8 m -131.41 104.07 6.79 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.152 -0.968 . . . . 0.0 108.39 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.635 ' HB3' HD22 ' A' ' 40' ' ' LEU . 72.8 m95 -76.4 131.45 39.12 Favored 'General case' 0 C--N 1.286 -2.172 0 O-C-N 121.371 -0.831 . . . . 0.0 110.068 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.861 HD21 HG22 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -174.33 151.47 1.62 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.335 -0.853 . . . . 0.0 110.65 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' CB ' ' HA ' ' A' ' 70' ' ' TYR . 23.6 tpt180 -169.48 -40.72 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.735 0.779 . . . . 0.0 109.228 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.16 34.27 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.755 -0.591 . . . . 0.0 109.66 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.25 31.77 2.32 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' C ' HG22 ' A' ' 39' ' ' VAL . 7.7 tm0? 52.8 85.29 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.102 -1.234 . . . . 0.0 110.222 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.505 HG22 ' C ' ' A' ' 38' ' ' GLN . 29.4 m 38.23 96.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 CA-C-O 122.289 1.042 . . . . 0.0 111.283 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.716 HD13 ' HA ' ' A' ' 34' ' ' LEU . 5.4 mp -42.19 -31.28 0.36 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.703 -0.623 . . . . 0.0 110.473 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' THR . 33.8 p -33.09 90.83 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 47' ' ' GLN . 22.5 p 21.56 50.17 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.566 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 1.9 m -53.52 -50.36 65.6 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.464 -0.772 . . . . 0.0 110.254 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 43' ' ' SER . . . 174.44 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.398 -0.814 . . . . 0.0 109.729 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.464 ' HB3' ' HA ' ' A' ' 62' ' ' VAL . 4.1 mtt180 -103.41 -20.46 14.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.475 -0.766 . . . . 0.0 109.778 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.466 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -115.5 168.71 9.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.392 -0.818 . . . . 0.0 109.614 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.514 ' HA ' HG22 ' A' ' 42' ' ' THR . 54.5 tp60 -143.78 103.15 4.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.156 -0.965 . . . . 0.0 110.126 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.723 HG23 ' CD1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -103.19 -176.93 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 120.97 -1.081 . . . . 0.0 109.824 179.634 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.821 HG23 ' OG1' ' A' ' 56' ' ' THR . 3.4 t -171.08 174.15 4.78 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.556 -0.715 . . . . 0.0 109.254 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 55' ' ' SER . 6.1 m -159.26 156.46 28.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.035 -1.041 . . . . 0.0 110.234 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.5 m -117.68 -84.47 0.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.075 -1.015 . . . . 0.0 109.821 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -138.15 -68.07 0.46 Allowed 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.228 -0.92 . . . . 0.0 109.403 179.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 32.8 m-85 -115.91 29.49 7.95 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.385 -0.822 . . . . 0.0 109.265 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.06 117.06 1.41 Allowed 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.299 0.571 . . . . 0.0 109.597 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.933 ' OG ' HG11 ' A' ' 31' ' ' VAL . 3.5 t -98.66 175.93 5.82 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.145 -0.972 . . . . 0.0 110.124 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.821 ' OG1' HG23 ' A' ' 49' ' ' THR . 1.8 p -152.82 146.25 24.9 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.407 -0.808 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.723 ' CD1' HG23 ' A' ' 48' ' ' VAL . 3.9 t80 -136.55 128.06 28.6 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.488 -0.758 . . . . 0.0 110.238 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -129.33 141.86 50.97 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.171 -0.955 . . . . 0.0 109.167 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.544 HD11 HD23 ' A' ' 87' ' ' LEU . 16.0 mt -119.38 133.51 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 120.932 -1.105 . . . . 0.0 110.821 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.462 ' HA ' ' CA ' ' A' ' 14' ' ' GLY . 2.8 m -163.24 16.35 0.07 Allowed 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.149 0.499 . . . . 0.0 110.733 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' A' ' 45' ' ' ARG . 2.2 t -131.49 -1.94 3.87 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.118 -0.989 . . . . 0.0 110.882 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.84 HG23 ' HB2' ' A' ' 66' ' ' ASP . 12.3 p -40.41 144.71 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.483 -0.761 . . . . 0.0 111.704 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.454 ' HB2' ' HD3' ' A' ' 45' ' ' ARG . 7.8 mp0 -110.08 -74.78 0.64 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.398 -0.814 . . . . 0.0 110.117 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -165.61 27.32 0.05 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.191 -0.943 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 t -150.66 17.33 0.8 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.088 -1.008 . . . . 0.0 110.543 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.84 ' HB2' HG23 ' A' ' 62' ' ' VAL . 2.4 m-20 -88.3 -14.14 39.06 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.024 -1.048 . . . . 0.0 110.276 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.471 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.1 OUTLIER 52.01 -167.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.17 -0.956 . . . . 0.0 110.797 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 88' ' ' THR . . . -104.89 -83.02 1.64 Allowed Glycine 0 N--CA 1.483 1.808 0 C-N-CA 119.753 -1.213 . . . . 0.0 111.147 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' A' ' 86' ' ' THR . 6.6 m-20 -29.96 112.5 0.08 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.673 ' CD1' HD11 ' A' ' 40' ' ' LEU . 2.5 m-85 -135.66 154.64 51.23 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.63 -168.31 2.88 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.345 -1.472 . . . . 0.0 112.099 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.881 HG22 HG23 ' A' ' 74' ' ' VAL . 5.8 p -153.78 110.01 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.276 0 O-C-N 121.593 -0.692 . . . . 0.0 111.215 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.861 HG22 HD21 ' A' ' 34' ' ' LEU . 27.6 m -87.64 83.06 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.978 -1.076 . . . . 0.0 109.939 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.994 ' CG2' HG23 ' A' ' 31' ' ' VAL . 15.0 t -81.43 124.29 38.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.196 -0.94 . . . . 0.0 109.844 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -143.6 -162.61 1.49 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.318 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.819 ' HB3' ' HB2' ' A' ' 0' ' ' ALA . 0.1 OUTLIER -169.9 -170.71 1.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.857 -1.152 . . . . 0.0 110.787 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 74.5 p -35.18 -31.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.476 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' ASN . 1.3 pt-20 -150.45 -11.7 0.25 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.163 -0.96 . . . . 0.0 112.336 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.577 ' HA3' ' HB3' ' A' ' 0' ' ' ALA . . . -88.08 166.62 35.43 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -158.28 74.72 0.71 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.303 -1.116 . . . . 0.0 110.324 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -112.9 176.84 4.85 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.242 -0.911 . . . . 0.0 110.165 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.551 ' O ' HD12 ' A' ' 2' ' ' ILE . 0.6 OUTLIER -159.37 -179.17 7.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.1 -1.0 . . . . 0.0 110.456 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.86 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . . . -147.63 171.59 15.37 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -145.75 157.43 43.94 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 118.931 -1.108 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CE1' HD22 ' A' ' 87' ' ' LEU . 32.6 p90 -177.93 131.68 0.15 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 69' ' ' ASN . 4.9 p -93.27 123.54 36.62 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 119.204 -0.998 . . . . 0.0 111.391 -178.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.611 HD22 ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -117.78 81.25 1.63 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.863 0.84 . . . . 0.0 109.099 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.468 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 0.2 OUTLIER -74.46 164.44 26.59 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 122.034 0.921 . . . . 0.0 112.017 -177.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.798 HD13 ' H ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -142.09 48.68 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 CA-C-O 121.507 0.67 . . . . 0.0 110.007 -179.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.52 ' O ' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -37.77 114.92 0.38 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.828 0.823 . . . . 0.0 111.879 -179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.291 -1.964 0 O-C-N 120.989 -1.07 . . . . 0.0 111.185 179.305 . . . . . . . . 2 2 . 1 stop_ save_