data_2hsx_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 2hsx _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.608 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 64.8 162.14 0.13 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.642 1.977 . . . . 0.0 110.424 -171.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.71 146.81 7.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -94.74 135.81 35.79 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 119.407 1.003 . . . . 0.0 108.773 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.1 mt -143.21 151.69 40.9 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.21 157.84 25.32 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.112 1.365 . . . . 0.0 109.599 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.3 mt -141.25 157.38 66.51 Favored Pre-proline 0 N--CA 1.468 0.429 0 C-N-CA 125.125 1.37 . . . . 0.0 108.294 169.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.9 166.39 29.68 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.065 2.51 . . . . 0.0 109.35 164.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -124.87 124.41 67.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -119.53 157.49 28.24 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 125.855 1.662 . . . . 0.0 106.587 -170.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -84.47 136.55 33.79 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.98 -18.93 18.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 O-C-N 121.325 -0.859 . . . . 0.0 110.949 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -6.24 59.24 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.46 -36.25 6.85 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.46 1.104 . . . . 0.0 109.91 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.36 65.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 129.377 3.071 . . . . 0.0 112.25 173.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.6 mt -34.49 -43.51 0.17 Allowed 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.474 -1.391 . . . . 0.0 113.395 170.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.5 t -115.66 106.99 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 119.495 1.043 . . . . 0.0 110.151 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.1 0.33 25.38 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.334 0.653 . . . . 0.0 112.614 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.55 130.39 10.28 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 107.099 -2.4 . . . . 0.0 107.099 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -82.8 -14.13 54.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.77 0.785 . . . . 0.0 111.454 160.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.69 -177.24 47.51 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 126.212 1.863 . . . . 0.0 108.616 -173.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -129.99 41.39 3.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.564 1.545 . . . . 0.0 110.426 -177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 m -147.17 162.93 37.88 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 120.923 -1.111 . . . . 0.0 108.375 146.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.4 t -54.79 -60.73 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 C-N-CA 124.913 1.285 . . . . 0.0 109.428 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -66.29 -29.66 69.92 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 123.696 0.622 . . . . 0.0 111.503 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.13 -63.16 1.4 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.282 1.033 . . . . 0.0 109.136 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.46 83.6 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.246 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -43.0 82.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.809 0.843 . . . . 0.0 111.417 176.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m -70.98 -49.74 42.0 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.541 1.136 . . . . 0.0 110.661 -176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -61.98 -42.22 98.9 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 125.145 1.378 . . . . 0.0 110.342 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.86 -60.81 2.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.637 1.175 . . . . 0.0 108.395 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -45.3 -36.14 3.9 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.61 0.764 . . . . 0.0 111.817 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.67 -34.87 24.9 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 124.168 0.987 . . . . 0.0 112.01 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -70.66 -29.28 65.58 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 120.913 1.688 . . . . 0.0 107.777 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.531 ' CD1' ' HG ' ' A' ' 40' ' ' CYS . 2.8 mp -65.04 -46.98 79.03 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.33 -0.856 . . . . 0.0 110.701 166.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -62.2 -34.12 75.86 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.897 1.279 . . . . 0.0 111.587 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -74.97 -47.77 27.68 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 126.318 1.847 . . . . 0.0 109.223 171.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.21 8.92 35.07 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 128.272 2.844 . . . . 0.0 112.311 -175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.0 p -94.41 38.89 1.09 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.36 2.264 . . . . 0.0 110.376 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.531 ' HG ' ' CD1' ' A' ' 35' ' ' LEU . 16.1 t -114.14 155.63 25.69 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 172.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.13 174.86 21.71 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.137 1.351 . . . . 0.0 109.765 167.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 tp -112.57 148.95 33.45 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.85 1.26 . . . . 0.0 109.637 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.9 t -125.38 127.8 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 127.256 2.222 . . . . 0.0 106.216 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.29 140.14 50.21 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.46 108.33 14.0 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.148 0.979 . . . . 0.0 108.656 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -123.4 173.72 7.81 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 124.527 1.131 . . . . 0.0 108.497 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.61 -35.35 80.71 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.269 -0.894 . . . . 0.0 112.728 -163.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.44 17.91 58.4 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 119.323 0.965 . . . . 0.0 113.825 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.8 t -90.61 -48.41 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 119.362 1.581 . . . . 0.0 112.598 -163.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 mt -48.72 -51.07 56.53 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-O 116.854 -1.546 . . . . 0.0 112.471 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -84.37 43.86 1.42 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.628 2.219 . . . . 0.0 110.811 -174.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -142.28 -17.49 0.73 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.398 2.279 . . . . 0.0 111.056 169.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.9 mt -79.57 -175.2 4.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.724 2.01 . . . . 0.0 107.538 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.49 -88.37 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -156.39 -59.65 0.02 OUTLIER Pre-proline 0 N--CA 1.429 -1.514 0 CA-C-O 116.613 -1.66 . . . . 0.0 110.759 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -79.29 85.63 1.82 Allowed 'Trans proline' 0 N--CA 1.441 -1.608 0 N-CA-C 107.138 -1.908 . . . . 0.0 107.138 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -78.4 104.42 8.98 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.19 95.34 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -79.7 164.96 23.32 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 123.291 1.52 . . . . 0.0 112.146 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 pt -124.82 126.06 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 CA-C-N 112.345 -2.207 . . . . 0.0 106.856 167.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.96 152.3 44.34 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.105 0.866 . . . . 0.0 109.319 173.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.6 57.94 2.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.118 0.967 . . . . 0.0 113.169 -168.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p 43.01 78.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.349 2.66 . . . . 0.0 112.167 171.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -79.53 84.13 5.44 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 170.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.42 18.65 0.07 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.286 1.434 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.2 mt -147.91 166.72 26.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 125.264 1.426 . . . . 0.0 108.383 -163.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -150.71 82.02 1.34 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -162.43 162.8 27.81 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -120.24 -6.7 9.87 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -170.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -112.54 88.51 2.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -156.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -178.28 171.52 43.9 Favored Glycine 0 CA--C 1.521 0.467 0 O-C-N 121.85 -0.532 . . . . 0.0 111.866 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -62.53 170.13 2.63 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.465 1.506 . . . . 0.0 110.045 165.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -72.11 93.34 1.41 Allowed 'General case' 0 C--O 1.233 0.198 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 167.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.09 149.22 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 165.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.9 m -140.87 173.92 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 118.978 0.808 . . . . 0.0 110.13 169.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -141.51 152.11 43.87 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.478 1.111 . . . . 0.0 108.728 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.51 126.32 30.71 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 129.024 2.93 . . . . 0.0 109.92 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.03 166.64 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 127.321 2.248 . . . . 0.0 106.63 -174.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.52 146.28 23.36 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.122 -1.611 . . . . 0.0 109.589 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -142.26 149.11 39.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.845 2.058 . . . . 0.0 108.337 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.6 ttm -78.48 -72.2 0.39 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.137 1.375 . . . . 0.0 110.167 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -78.33 -5.73 53.03 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 119.475 -2.015 . . . . 0.0 110.16 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.85 30.11 77.11 Favored Glycine 0 CA--C 1.532 1.117 0 O-C-N 121.352 -0.842 . . . . 0.0 111.213 -164.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.1 mp -33.66 -56.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.52 0 C-N-CA 126.799 2.039 . . . . 0.0 111.206 171.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -114.52 175.02 5.66 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 126.065 1.746 . . . . 0.0 108.211 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 65.38 -70.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 126.897 2.079 . . . . 0.0 112.597 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.9 -51.07 41.76 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 120.386 1.448 . . . . 0.0 110.189 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.34 72.29 5.93 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 165.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 m -161.03 171.21 19.04 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 127.731 2.412 . . . . 0.0 109.211 166.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.44 0.53 59.88 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.332 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.449 ' CG2' ' H ' ' A' ' 92' ' ' THR . 17.2 tt -65.69 -93.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.334 0 CA-C-N 119.444 1.622 . . . . 0.0 108.369 173.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.449 ' H ' ' CG2' ' A' ' 91' ' ' ILE 0.399 0.2 OUTLIER 21.61 116.45 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 131.209 3.803 . . . . 0.0 118.273 148.278 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.62 -13.08 13.33 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.954 0.901 . . . . 0.0 112.715 -168.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 168.27 -168.57 40.97 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 126.242 1.877 . . . . 0.0 109.767 168.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.17 141.36 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.757 1.623 . . . . 0.0 106.788 169.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -80.2 159.86 25.82 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.225 0.61 . . . . 0.0 110.24 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.44 155.23 45.88 Favored Pre-proline 0 C--O 1.24 0.579 0 C-N-CA 126.499 1.92 . . . . 0.0 109.413 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -71.03 117.79 5.35 Favored 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 121.784 1.656 . . . . 0.0 107.999 171.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -71.14 116.07 11.02 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.401 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 97.4 t -126.96 67.38 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 127.764 2.425 . . . . 0.0 106.918 170.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 68.13 19.19 71.82 Favored Glycine 0 C--N 1.338 0.641 0 N-CA-C 116.284 1.274 . . . . 0.0 116.284 160.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 100' ' ' VAL . 12.4 mp0 -74.49 0.91 13.2 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -162.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.7 m 69.17 101.99 0.04 OUTLIER Pre-proline 0 C--N 1.32 -0.69 0 C-N-CA 130.559 3.543 . . . . 0.0 110.65 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.52 158.61 52.07 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.605 1.536 . . . . 0.0 112.87 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.25 -17.1 8.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 113.133 -1.848 . . . . 0.0 110.274 171.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -166.46 173.95 9.4 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.168 1.787 . . . . 0.0 108.543 -170.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -131.56 151.34 51.67 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.812 2.045 . . . . 0.0 107.902 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -134.65 107.04 7.26 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.413 1.485 . . . . 0.0 109.238 -175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -78.69 154.69 29.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.02 171.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.2 m -148.6 178.65 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 127.864 2.466 . . . . 0.0 107.674 172.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.87 168.82 8.88 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 156.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.48 115.0 10.51 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 129.1 2.96 . . . . 0.0 108.204 -174.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -49.05 125.46 10.61 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 126.418 1.887 . . . . 0.0 110.969 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -142.39 105.28 4.55 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 171.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -64.15 -50.04 69.75 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -174.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.034 -1.981 . . . . 0.0 108.155 173.82 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.608 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 64.8 162.14 0.13 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.642 1.977 . . . . 0.0 110.424 -171.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.71 146.81 7.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -94.74 135.81 35.79 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 119.407 1.003 . . . . 0.0 108.773 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.1 mt -143.21 151.69 40.9 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 109' ' ' ASN . 0.1 OUTLIER -117.21 157.84 25.32 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.112 1.365 . . . . 0.0 109.599 178.383 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.3 mt -141.25 157.38 66.51 Favored Pre-proline 0 N--CA 1.468 0.429 0 C-N-CA 125.125 1.37 . . . . 0.0 108.294 169.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.9 166.39 29.68 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.065 2.51 . . . . 0.0 109.35 164.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -124.87 124.41 67.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -119.53 157.49 28.24 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 125.855 1.662 . . . . 0.0 106.587 -170.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -84.47 136.55 33.79 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.98 -18.93 18.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 O-C-N 121.325 -0.859 . . . . 0.0 110.949 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -6.24 59.24 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.46 -36.25 6.85 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.46 1.104 . . . . 0.0 109.91 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.36 65.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 129.377 3.071 . . . . 0.0 112.25 173.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.6 mt -34.49 -43.51 0.17 Allowed 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.474 -1.391 . . . . 0.0 113.395 170.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.5 t -115.66 106.99 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 119.495 1.043 . . . . 0.0 110.151 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.1 0.33 25.38 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.334 0.653 . . . . 0.0 112.614 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.55 130.39 10.28 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 107.099 -2.4 . . . . 0.0 107.099 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -82.8 -14.13 54.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.77 0.785 . . . . 0.0 111.454 160.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.69 -177.24 47.51 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 126.212 1.863 . . . . 0.0 108.616 -173.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -129.99 41.39 3.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.564 1.545 . . . . 0.0 110.426 -177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 m -147.17 162.93 37.88 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 120.923 -1.111 . . . . 0.0 108.375 146.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.4 t -54.79 -60.73 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 C-N-CA 124.913 1.285 . . . . 0.0 109.428 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -66.29 -29.66 69.92 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 123.696 0.622 . . . . 0.0 111.503 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.13 -63.16 1.4 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.282 1.033 . . . . 0.0 109.136 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.46 83.6 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.246 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -43.0 82.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.809 0.843 . . . . 0.0 111.417 176.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m -70.98 -49.74 42.0 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.541 1.136 . . . . 0.0 110.661 -176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -61.98 -42.22 98.9 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 125.145 1.378 . . . . 0.0 110.342 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.86 -60.81 2.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.637 1.175 . . . . 0.0 108.395 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -45.3 -36.14 3.9 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.61 0.764 . . . . 0.0 111.817 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.67 -34.87 24.9 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 124.168 0.987 . . . . 0.0 112.01 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -70.66 -29.28 65.58 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 120.913 1.688 . . . . 0.0 107.777 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -65.04 -46.98 79.03 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.33 -0.856 . . . . 0.0 110.701 166.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -62.2 -34.12 75.86 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.897 1.279 . . . . 0.0 111.587 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -74.97 -47.77 27.68 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 126.318 1.847 . . . . 0.0 109.223 171.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.21 8.92 35.07 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 128.272 2.844 . . . . 0.0 112.311 -175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.0 p -94.41 38.89 1.09 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.36 2.264 . . . . 0.0 110.376 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.1 t -114.14 155.63 25.69 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.13 174.86 21.71 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.137 1.351 . . . . 0.0 109.765 167.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 tp -112.57 148.95 33.45 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.85 1.26 . . . . 0.0 109.637 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.9 t -125.38 127.8 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 127.256 2.222 . . . . 0.0 106.216 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.29 140.14 50.21 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.46 108.33 14.0 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.148 0.979 . . . . 0.0 108.656 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -123.4 173.72 7.81 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 124.527 1.131 . . . . 0.0 108.497 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.61 -35.35 80.71 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.269 -0.894 . . . . 0.0 112.728 -163.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.44 17.91 58.4 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 119.323 0.965 . . . . 0.0 113.825 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.8 t -90.61 -48.41 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 119.362 1.581 . . . . 0.0 112.598 -163.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 mt -48.72 -51.07 56.53 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-O 116.854 -1.546 . . . . 0.0 112.471 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -84.37 43.86 1.42 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.628 2.219 . . . . 0.0 110.811 -174.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -142.28 -17.49 0.73 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.398 2.279 . . . . 0.0 111.056 169.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.9 mt -79.57 -175.2 4.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.724 2.01 . . . . 0.0 107.538 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.49 -88.37 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.39 -59.65 0.02 OUTLIER Pre-proline 0 N--CA 1.429 -1.514 0 CA-C-O 116.613 -1.66 . . . . 0.0 110.759 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -79.29 85.63 1.82 Allowed 'Trans proline' 0 N--CA 1.441 -1.608 0 N-CA-C 107.138 -1.908 . . . . 0.0 107.138 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -78.4 104.42 8.98 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.19 95.34 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -79.7 164.96 23.32 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 123.291 1.52 . . . . 0.0 112.146 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 92' ' ' THR . 47.3 pt -124.82 126.06 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 CA-C-N 112.345 -2.207 . . . . 0.0 106.856 167.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HG2' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -124.96 152.3 44.34 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.105 0.866 . . . . 0.0 109.319 173.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -78.6 57.94 2.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.118 0.967 . . . . 0.0 113.169 -168.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p 43.01 78.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.349 2.66 . . . . 0.0 112.167 171.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -79.53 84.13 5.44 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 170.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.42 18.65 0.07 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.286 1.434 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.2 mt -147.91 166.72 26.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 125.264 1.426 . . . . 0.0 108.383 -163.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -150.71 82.02 1.34 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -162.43 162.8 27.81 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -120.24 -6.7 9.87 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -170.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -112.54 88.51 2.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -156.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -178.28 171.52 43.9 Favored Glycine 0 CA--C 1.521 0.467 0 O-C-N 121.85 -0.532 . . . . 0.0 111.866 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -62.53 170.13 2.63 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.465 1.506 . . . . 0.0 110.045 165.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -72.11 93.34 1.41 Allowed 'General case' 0 C--O 1.233 0.198 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 167.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.09 149.22 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 165.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 1.9 m -140.87 173.92 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 118.978 0.808 . . . . 0.0 110.13 169.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -141.51 152.11 43.87 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.478 1.111 . . . . 0.0 108.728 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.51 126.32 30.71 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 129.024 2.93 . . . . 0.0 109.92 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.462 HG21 ' HG2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -146.03 166.64 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 127.321 2.248 . . . . 0.0 106.63 -174.106 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.52 146.28 23.36 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.122 -1.611 . . . . 0.0 109.589 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -142.26 149.11 39.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.845 2.058 . . . . 0.0 108.337 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.6 ttm -78.48 -72.2 0.39 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.137 1.375 . . . . 0.0 110.167 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -78.33 -5.73 53.03 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 119.475 -2.015 . . . . 0.0 110.16 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.85 30.11 77.11 Favored Glycine 0 CA--C 1.532 1.117 0 O-C-N 121.352 -0.842 . . . . 0.0 111.213 -164.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.1 mp -33.66 -56.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.52 0 C-N-CA 126.799 2.039 . . . . 0.0 111.206 171.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -114.52 175.02 5.66 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 126.065 1.746 . . . . 0.0 108.211 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 65.38 -70.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 126.897 2.079 . . . . 0.0 112.597 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.9 -51.07 41.76 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 120.386 1.448 . . . . 0.0 110.189 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.34 72.29 5.93 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 165.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 m -161.03 171.21 19.04 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 127.731 2.412 . . . . 0.0 109.211 166.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.44 0.53 59.88 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.332 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.556 HG23 ' H ' ' A' ' 92' ' ' THR . 17.2 tt -65.69 -93.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.334 0 CA-C-N 119.444 1.622 . . . . 0.0 108.369 173.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.556 ' H ' HG23 ' A' ' 91' ' ' ILE 0.399 0.2 OUTLIER 21.61 116.45 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 131.209 3.803 . . . . 0.0 118.273 148.278 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -112.62 -13.08 13.33 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.954 0.901 . . . . 0.0 112.715 -168.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 168.27 -168.57 40.97 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 126.242 1.877 . . . . 0.0 109.767 168.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.17 141.36 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.757 1.623 . . . . 0.0 106.788 169.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -80.2 159.86 25.82 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.225 0.61 . . . . 0.0 110.24 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.44 155.23 45.88 Favored Pre-proline 0 C--O 1.24 0.579 0 C-N-CA 126.499 1.92 . . . . 0.0 109.413 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -71.03 117.79 5.35 Favored 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 121.784 1.656 . . . . 0.0 107.999 171.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -71.14 116.07 11.02 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.4 t -126.96 67.38 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 127.764 2.425 . . . . 0.0 106.918 170.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 68.13 19.19 71.82 Favored Glycine 0 C--N 1.338 0.641 0 N-CA-C 116.284 1.274 . . . . 0.0 116.284 160.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -74.49 0.91 13.2 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -162.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.7 m 69.17 101.99 0.04 OUTLIER Pre-proline 0 C--N 1.32 -0.69 0 C-N-CA 130.559 3.543 . . . . 0.0 110.65 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.52 158.61 52.07 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.605 1.536 . . . . 0.0 112.87 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.25 -17.1 8.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 113.133 -1.848 . . . . 0.0 110.274 171.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -166.46 173.95 9.4 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.168 1.787 . . . . 0.0 108.543 -170.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -131.56 151.34 51.67 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.812 2.045 . . . . 0.0 107.902 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -134.65 107.04 7.26 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.413 1.485 . . . . 0.0 109.238 -175.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 10.1 p30 -78.69 154.69 29.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.02 171.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.2 m -148.6 178.65 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 127.864 2.466 . . . . 0.0 107.674 172.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.87 168.82 8.88 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 156.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.48 115.0 10.51 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 129.1 2.96 . . . . 0.0 108.204 -174.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -49.05 125.46 10.61 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 126.418 1.887 . . . . 0.0 110.969 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -142.39 105.28 4.55 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 171.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -64.15 -50.04 69.75 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -174.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.034 -1.981 . . . . 0.0 108.155 173.82 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.608 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 64.8 162.14 0.13 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.642 1.977 . . . . 0.0 110.424 -171.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.1 t -79.71 146.81 7.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -94.74 135.81 35.79 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 119.407 1.003 . . . . 0.0 108.773 169.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.1 mt -143.21 151.69 40.9 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.847 177.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 109' ' ' ASN . 0.1 OUTLIER -117.21 157.84 25.32 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.112 1.365 . . . . 0.0 109.599 178.383 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.3 mt -141.25 157.38 66.51 Favored Pre-proline 0 N--CA 1.468 0.429 0 C-N-CA 125.125 1.37 . . . . 0.0 108.294 169.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.9 166.39 29.68 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.065 2.51 . . . . 0.0 109.35 164.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -124.87 124.41 67.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 105.076 -2.194 . . . . 0.0 105.076 175.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -119.53 157.49 28.24 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 125.855 1.662 . . . . 0.0 106.587 -170.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -84.47 136.55 33.79 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -60.98 -18.93 18.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 O-C-N 121.325 -0.859 . . . . 0.0 110.949 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -6.24 59.24 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.46 -36.25 6.85 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.46 1.104 . . . . 0.0 109.91 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.36 65.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 129.377 3.071 . . . . 0.0 112.25 173.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.6 mt -34.49 -43.51 0.17 Allowed 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.474 -1.391 . . . . 0.0 113.395 170.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.5 t -115.66 106.99 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 119.495 1.043 . . . . 0.0 110.151 -178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.1 0.33 25.38 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.334 0.653 . . . . 0.0 112.614 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.55 130.39 10.28 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 107.099 -2.4 . . . . 0.0 107.099 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -82.8 -14.13 54.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 117.77 0.785 . . . . 0.0 111.454 160.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.69 -177.24 47.51 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 126.212 1.863 . . . . 0.0 108.616 -173.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -129.99 41.39 3.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.564 1.545 . . . . 0.0 110.426 -177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.7 m -147.17 162.93 37.88 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 120.923 -1.111 . . . . 0.0 108.375 146.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.4 t -54.79 -60.73 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 C-N-CA 124.913 1.285 . . . . 0.0 109.428 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -66.29 -29.66 69.92 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 123.696 0.622 . . . . 0.0 111.503 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.13 -63.16 1.4 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.282 1.033 . . . . 0.0 109.136 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.46 83.6 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.246 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.24 -43.0 82.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.809 0.843 . . . . 0.0 111.417 176.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m -70.98 -49.74 42.0 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.541 1.136 . . . . 0.0 110.661 -176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -61.98 -42.22 98.9 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 125.145 1.378 . . . . 0.0 110.342 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.86 -60.81 2.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.637 1.175 . . . . 0.0 108.395 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -45.3 -36.14 3.9 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.61 0.764 . . . . 0.0 111.817 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.67 -34.87 24.9 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 124.168 0.987 . . . . 0.0 112.01 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -70.66 -29.28 65.58 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 120.913 1.688 . . . . 0.0 107.777 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -65.04 -46.98 79.03 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.33 -0.856 . . . . 0.0 110.701 166.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -62.2 -34.12 75.86 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.897 1.279 . . . . 0.0 111.587 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -74.97 -47.77 27.68 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 126.318 1.847 . . . . 0.0 109.223 171.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.21 8.92 35.07 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 128.272 2.844 . . . . 0.0 112.311 -175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.0 p -94.41 38.89 1.09 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.36 2.264 . . . . 0.0 110.376 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.1 t -114.14 155.63 25.69 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.13 174.86 21.71 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.137 1.351 . . . . 0.0 109.765 167.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 tp -112.57 148.95 33.45 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.85 1.26 . . . . 0.0 109.637 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.9 t -125.38 127.8 72.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 127.256 2.222 . . . . 0.0 106.216 170.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.29 140.14 50.21 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.46 108.33 14.0 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.148 0.979 . . . . 0.0 108.656 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -123.4 173.72 7.81 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 124.527 1.131 . . . . 0.0 108.497 173.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -64.61 -35.35 80.71 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 121.269 -0.894 . . . . 0.0 112.728 -163.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.44 17.91 58.4 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 119.323 0.965 . . . . 0.0 113.825 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.8 t -90.61 -48.41 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 119.362 1.581 . . . . 0.0 112.598 -163.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 mt -48.72 -51.07 56.53 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-O 116.854 -1.546 . . . . 0.0 112.471 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -84.37 43.86 1.42 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.628 2.219 . . . . 0.0 110.811 -174.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -142.28 -17.49 0.73 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.398 2.279 . . . . 0.0 111.056 169.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.9 mt -79.57 -175.2 4.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.724 2.01 . . . . 0.0 107.538 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.49 -88.37 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -156.39 -59.65 0.02 OUTLIER Pre-proline 0 N--CA 1.429 -1.514 0 CA-C-O 116.613 -1.66 . . . . 0.0 110.759 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -79.29 85.63 1.82 Allowed 'Trans proline' 0 N--CA 1.441 -1.608 0 N-CA-C 107.138 -1.908 . . . . 0.0 107.138 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -78.4 104.42 8.98 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 -173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.19 95.34 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -79.7 164.96 23.32 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 123.291 1.52 . . . . 0.0 112.146 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 92' ' ' THR . 47.3 pt -124.82 126.06 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.018 0 CA-C-N 112.345 -2.207 . . . . 0.0 106.856 167.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HG2' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -124.96 152.3 44.34 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.105 0.866 . . . . 0.0 109.319 173.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -78.6 57.94 2.12 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.118 0.967 . . . . 0.0 113.169 -168.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 p 43.01 78.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.349 2.66 . . . . 0.0 112.167 171.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -79.53 84.13 5.44 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 170.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.42 18.65 0.07 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.286 1.434 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.2 mt -147.91 166.72 26.81 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 125.264 1.426 . . . . 0.0 108.383 -163.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -150.71 82.02 1.34 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -162.43 162.8 27.81 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -120.24 -6.7 9.87 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -170.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -112.54 88.51 2.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -156.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -178.28 171.52 43.9 Favored Glycine 0 CA--C 1.521 0.467 0 O-C-N 121.85 -0.532 . . . . 0.0 111.866 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -62.53 170.13 2.63 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.465 1.506 . . . . 0.0 110.045 165.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -72.11 93.34 1.41 Allowed 'General case' 0 C--O 1.233 0.198 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 167.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.09 149.22 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 165.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 1.9 m -140.87 173.92 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 118.978 0.808 . . . . 0.0 110.13 169.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -141.51 152.11 43.87 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.478 1.111 . . . . 0.0 108.728 173.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.9 mt -79.51 126.32 30.71 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 129.024 2.93 . . . . 0.0 109.92 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.462 HG21 ' HG2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -146.03 166.64 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 127.321 2.248 . . . . 0.0 106.63 -174.106 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.52 146.28 23.36 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.122 -1.611 . . . . 0.0 109.589 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -142.26 149.11 39.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.845 2.058 . . . . 0.0 108.337 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.6 ttm -78.48 -72.2 0.39 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.137 1.375 . . . . 0.0 110.167 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -78.33 -5.73 53.03 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 119.475 -2.015 . . . . 0.0 110.16 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.85 30.11 77.11 Favored Glycine 0 CA--C 1.532 1.117 0 O-C-N 121.352 -0.842 . . . . 0.0 111.213 -164.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.1 mp -33.66 -56.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.52 0 C-N-CA 126.799 2.039 . . . . 0.0 111.206 171.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -114.52 175.02 5.66 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 126.065 1.746 . . . . 0.0 108.211 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 65.38 -70.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 126.897 2.079 . . . . 0.0 112.597 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.9 -51.07 41.76 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 120.386 1.448 . . . . 0.0 110.189 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.34 72.29 5.93 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 165.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 m -161.03 171.21 19.04 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 127.731 2.412 . . . . 0.0 109.211 166.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.44 0.53 59.88 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.332 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.556 HG23 ' H ' ' A' ' 92' ' ' THR . 17.2 tt -65.69 -93.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.334 0 CA-C-N 119.444 1.622 . . . . 0.0 108.369 173.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.556 ' H ' HG23 ' A' ' 91' ' ' ILE 0.399 0.2 OUTLIER 21.61 116.45 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 131.209 3.803 . . . . 0.0 118.273 148.278 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -112.62 -13.08 13.33 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.954 0.901 . . . . 0.0 112.715 -168.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 168.27 -168.57 40.97 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 126.242 1.877 . . . . 0.0 109.767 168.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.17 141.36 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 125.757 1.623 . . . . 0.0 106.788 169.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -80.2 159.86 25.82 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.225 0.61 . . . . 0.0 110.24 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.7 m -147.44 155.23 45.88 Favored Pre-proline 0 C--O 1.24 0.579 0 C-N-CA 126.499 1.92 . . . . 0.0 109.413 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -71.03 117.79 5.35 Favored 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 121.784 1.656 . . . . 0.0 107.999 171.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -71.14 116.07 11.02 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 97.4 t -126.96 67.38 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 127.764 2.425 . . . . 0.0 106.918 170.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 68.13 19.19 71.82 Favored Glycine 0 C--N 1.338 0.641 0 N-CA-C 116.284 1.274 . . . . 0.0 116.284 160.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -74.49 0.91 13.2 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -162.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.7 m 69.17 101.99 0.04 OUTLIER Pre-proline 0 C--N 1.32 -0.69 0 C-N-CA 130.559 3.543 . . . . 0.0 110.65 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -65.52 158.61 52.07 Favored 'Trans proline' 0 N--CA 1.445 -1.382 0 C-N-CA 121.605 1.536 . . . . 0.0 112.87 175.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.25 -17.1 8.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 113.133 -1.848 . . . . 0.0 110.274 171.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -166.46 173.95 9.4 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.168 1.787 . . . . 0.0 108.543 -170.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -131.56 151.34 51.67 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.812 2.045 . . . . 0.0 107.902 173.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -134.65 107.04 7.26 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 125.413 1.485 . . . . 0.0 109.238 -175.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' SER . 10.1 p30 -78.69 154.69 29.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.02 171.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.2 m -148.6 178.65 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 127.864 2.466 . . . . 0.0 107.674 172.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.87 168.82 8.88 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 156.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.48 115.0 10.51 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 129.1 2.96 . . . . 0.0 108.204 -174.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -49.05 125.46 10.61 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 126.418 1.887 . . . . 0.0 110.969 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -142.39 105.28 4.55 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 171.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -64.15 -50.04 69.75 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -174.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.034 -1.981 . . . . 0.0 108.155 173.82 . . . . . . . . 0 0 . 1 stop_ save_