data_1kdf_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 1kdf _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -97.08 127.44 43.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.18 141.31 30.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 m -110.85 -177.91 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 t -97.94 95.12 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.6 t -89.97 149.37 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.446 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.7 122.23 17.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.309 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -90.23 -12.46 37.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.599 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.42 174.14 12.79 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.103 0.478 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.8 tp -70.91 98.26 1.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.671 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.3 mt -92.21 110.9 47.49 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.065 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.49 169.42 15.49 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 121.529 1.486 . . . . 0.0 112.739 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.0 tt -75.73 155.31 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.379 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 60.03 33.5 21.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.547 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.3 m -132.46 154.66 49.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.84 150.07 23.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.426 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 mt -83.15 167.64 17.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.9 p -149.8 168.78 22.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.99 -32.58 73.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.389 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.14 -28.36 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 74.0 mtm -98.54 30.82 3.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.779 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 28.7 mtm -149.5 144.09 26.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -159.74 159.95 33.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.442 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.0 m -94.58 112.29 24.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -148.13 150.4 33.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.459 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.94 131.44 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.1 m -155.49 175.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.38 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -133.73 144.96 54.13 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.328 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -80.93 168.43 70.73 Favored 'Cis proline' 0 N--CA 1.481 0.756 0 C-N-CA 124.099 -1.209 . . . . 0.0 112.487 0.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.41 103.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.484 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.08 -130.18 6.89 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.78 139.23 83.03 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -80.5 174.55 11.09 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 121.521 1.481 . . . . 0.0 112.582 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.73 17.76 7.26 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.571 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.43 -27.68 19.12 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.884 0.373 . . . . 0.0 110.741 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -101.38 29.97 4.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.44 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 67.6 mt -58.29 -47.25 99.15 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 38.3 Cg_endo -75.36 -18.21 18.16 Favored 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 121.07 1.18 . . . . 0.0 112.849 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -80.03 -25.84 40.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.72 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 mp -98.28 35.0 1.85 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.108 0.48 . . . . 0.0 110.602 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.2 t -88.16 136.35 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.351 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.9 m 60.91 39.48 16.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.552 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.0 mmm -99.6 126.73 45.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.31 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -80.01 133.74 36.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.483 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.1 m -94.38 157.44 3.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -79.67 -30.46 41.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -134.33 -178.44 5.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.9 125.91 32.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.413 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.3 t -117.1 109.15 42.95 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.208 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.39 -176.88 3.42 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 121.488 1.459 . . . . 0.0 112.635 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.42 150.33 48.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.588 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.7 56.97 16.08 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 m -142.89 124.21 14.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.136 0.493 . . . . 0.0 110.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -61.64 126.03 25.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.507 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tp -86.23 112.8 21.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 44.0 mtt -95.14 158.95 33.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.24 -26.02 3.61 Favored 'Trans proline' 0 N--CA 1.474 0.346 0 C-N-CA 121.861 1.708 . . . . 0.0 112.75 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.11 -33.04 73.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.481 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 72.3 mtm -77.63 -33.53 53.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.497 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.6 t -79.91 105.71 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.87 121.27 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.481 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.14 -31.9 7.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -89.93 124.4 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.49 120.99 18.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.512 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -97.08 127.44 43.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.18 141.31 30.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 m -110.85 -177.91 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 t -97.94 95.12 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.6 t -89.97 149.37 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.446 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.7 122.23 17.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.309 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -90.23 -12.46 37.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.599 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.42 174.14 12.79 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.103 0.478 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.542 ' N ' HD11 ' A' ' 51' ' ' LEU . 29.8 tp -70.91 98.26 1.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.671 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.511 HG21 ' CD2' ' A' ' 17' ' ' LEU . 20.3 mt -92.21 110.9 47.49 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.065 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.49 169.42 15.49 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 121.529 1.486 . . . . 0.0 112.739 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.0 tt -75.73 155.31 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.379 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 60.03 33.5 21.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.547 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.3 m -132.46 154.66 49.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.84 150.07 23.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.426 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.511 ' CD2' HG21 ' A' ' 11' ' ' ILE . 57.9 mt -83.15 167.64 17.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.9 p -149.8 168.78 22.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 19' ' ' LEU . 6.9 mp -61.99 -32.58 73.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.389 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.14 -28.36 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 74.0 mtm -98.54 30.82 3.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.779 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.46 ' HE3' HG23 ' A' ' 37' ' ' ILE . 28.7 mtm -149.5 144.09 26.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -159.74 159.95 33.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.442 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.0 m -94.58 112.29 24.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -148.13 150.4 33.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.459 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.94 131.44 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.1 m -155.49 175.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.38 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -133.73 144.96 54.13 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.328 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -80.93 168.43 70.73 Favored 'Cis proline' 0 N--CA 1.481 0.756 0 C-N-CA 124.099 -1.209 . . . . 0.0 112.487 0.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.41 103.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.484 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.08 -130.18 6.89 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.484 HD11 ' C ' ' A' ' 56' ' ' MET . 58.8 mt -71.78 139.23 83.03 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -80.5 174.55 11.09 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 121.521 1.481 . . . . 0.0 112.582 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.659 ' HB1' HD11 ' A' ' 37' ' ' ILE . . . -90.73 17.76 7.26 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.571 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.43 -27.68 19.12 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.884 0.373 . . . . 0.0 110.741 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 40' ' ' LEU . 59.7 m-20 -101.38 29.97 4.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.659 HD11 ' HB1' ' A' ' 34' ' ' ALA . 67.6 mt -58.29 -47.25 99.15 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.611 ' O ' HG23 ' A' ' 41' ' ' VAL . 38.3 Cg_endo -75.36 -18.21 18.16 Favored 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 121.07 1.18 . . . . 0.0 112.849 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -80.03 -25.84 40.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.72 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD11 ' CE1' ' A' ' 63' ' ' TYR . 3.2 mp -98.28 35.0 1.85 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.108 0.48 . . . . 0.0 110.602 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 38' ' ' PRO . 29.2 t -88.16 136.35 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.9 m 60.91 39.48 16.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.552 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.0 mmm -99.6 126.73 45.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.31 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -80.01 133.74 36.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.483 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.1 m -94.38 157.44 3.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -79.67 -30.46 41.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -134.33 -178.44 5.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.9 125.91 32.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.413 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.3 t -117.1 109.15 42.95 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.208 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.39 -176.88 3.42 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 121.488 1.459 . . . . 0.0 112.635 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.542 HD11 ' N ' ' A' ' 10' ' ' LEU . 6.2 mp -65.42 150.33 48.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.588 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.7 56.97 16.08 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 m -142.89 124.21 14.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.136 0.493 . . . . 0.0 110.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -61.64 126.03 25.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.507 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tp -86.23 112.8 21.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 60' ' ' VAL . 44.0 mtt -95.14 158.95 33.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.24 -26.02 3.61 Favored 'Trans proline' 0 N--CA 1.474 0.346 0 C-N-CA 121.861 1.708 . . . . 0.0 112.75 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.11 -33.04 73.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.481 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 72.3 mtm -77.63 -33.53 53.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.497 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 56' ' ' MET . 25.6 t -79.91 105.71 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.87 121.27 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.481 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.14 -31.9 7.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.461 ' CE1' HD11 ' A' ' 40' ' ' LEU . 58.4 t80 -89.93 124.4 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.49 120.99 18.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.512 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -97.08 127.44 43.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.18 141.31 30.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.455 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 m -110.85 -177.91 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.5 t -97.94 95.12 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.369 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.6 t -89.97 149.37 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.446 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.7 122.23 17.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.309 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -90.23 -12.46 37.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.599 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.42 174.14 12.79 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.103 0.478 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.542 ' N ' HD11 ' A' ' 51' ' ' LEU . 29.8 tp -70.91 98.26 1.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.671 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.511 HG21 ' CD2' ' A' ' 17' ' ' LEU . 20.3 mt -92.21 110.9 47.49 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.065 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.49 169.42 15.49 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 121.529 1.486 . . . . 0.0 112.739 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.0 tt -75.73 155.31 6.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.379 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 60.03 33.5 21.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.547 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.3 m -132.46 154.66 49.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.84 150.07 23.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.426 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.511 ' CD2' HG21 ' A' ' 11' ' ' ILE . 57.9 mt -83.15 167.64 17.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.9 p -149.8 168.78 22.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' N ' HD12 ' A' ' 19' ' ' LEU . 6.9 mp -61.99 -32.58 73.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.389 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.14 -28.36 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 74.0 mtm -98.54 30.82 3.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.779 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.46 ' HE3' HG23 ' A' ' 37' ' ' ILE . 28.7 mtm -149.5 144.09 26.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.439 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -159.74 159.95 33.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.442 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.0 m -94.58 112.29 24.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -148.13 150.4 33.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.459 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.94 131.44 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.1 m -155.49 175.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.38 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -133.73 144.96 54.13 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.328 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -80.93 168.43 70.73 Favored 'Cis proline' 0 N--CA 1.481 0.756 0 C-N-CA 124.099 -1.209 . . . . 0.0 112.487 0.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -63.41 103.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.484 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.08 -130.18 6.89 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.484 HD11 ' C ' ' A' ' 56' ' ' MET . 58.8 mt -71.78 139.23 83.03 Favored Pre-proline 0 CA--C 1.535 0.396 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -80.5 174.55 11.09 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 121.521 1.481 . . . . 0.0 112.582 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.659 ' HB1' HD11 ' A' ' 37' ' ' ILE . . . -90.73 17.76 7.26 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.571 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.43 -27.68 19.12 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.884 0.373 . . . . 0.0 110.741 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 40' ' ' LEU . 59.7 m-20 -101.38 29.97 4.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.659 HD11 ' HB1' ' A' ' 34' ' ' ALA . 67.6 mt -58.29 -47.25 99.15 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.611 ' O ' HG23 ' A' ' 41' ' ' VAL . 38.3 Cg_endo -75.36 -18.21 18.16 Favored 'Trans proline' 0 N--CA 1.478 0.564 0 C-N-CA 121.07 1.18 . . . . 0.0 112.849 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -80.03 -25.84 40.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.72 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD11 ' CE1' ' A' ' 63' ' ' TYR . 3.2 mp -98.28 35.0 1.85 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.108 0.48 . . . . 0.0 110.602 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 38' ' ' PRO . 29.2 t -88.16 136.35 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.9 m 60.91 39.48 16.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.552 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.0 mmm -99.6 126.73 45.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.31 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -80.01 133.74 36.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.483 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.1 m -94.38 157.44 3.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -79.67 -30.46 41.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -134.33 -178.44 5.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.548 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.9 125.91 32.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.413 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.3 t -117.1 109.15 42.95 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.208 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.39 -176.88 3.42 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 121.488 1.459 . . . . 0.0 112.635 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.542 HD11 ' N ' ' A' ' 10' ' ' LEU . 6.2 mp -65.42 150.33 48.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.588 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.7 56.97 16.08 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.8 m -142.89 124.21 14.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.136 0.493 . . . . 0.0 110.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -61.64 126.03 25.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.507 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tp -86.23 112.8 21.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 60' ' ' VAL . 44.0 mtt -95.14 158.95 33.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.24 -26.02 3.61 Favored 'Trans proline' 0 N--CA 1.474 0.346 0 C-N-CA 121.861 1.708 . . . . 0.0 112.75 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.11 -33.04 73.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.481 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 72.3 mtm -77.63 -33.53 53.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.497 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 56' ' ' MET . 25.6 t -79.91 105.71 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.341 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.87 121.27 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.481 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.14 -31.9 7.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.461 ' CE1' HD11 ' A' ' 40' ' ' LEU . 58.4 t80 -89.93 124.4 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.49 120.99 18.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.512 -179.986 . . . . . . . . 0 0 . 1 stop_ save_