data_2adn_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 2adn _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' ' ' MET . . . . . . . . . . . . . 12.4 ptm . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.455 ' HA ' ' HB3' ' B' ' 110' ' ' ASP . 5.5 mttt -136.61 158.22 44.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.518 ' N ' ' HB2' ' B' ' 110' ' ' ASP . 32.5 tp60 -126.75 119.37 26.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' B' ' 108' ' ' THR . 26.9 ttt180 -86.69 99.5 11.8 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.571 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.583 HG23 ' O ' ' B' ' 107' ' ' VAL . 0.1 OUTLIER -100.02 110.31 26.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.671 ' HB ' ' HB ' ' B' ' 106' ' ' THR . 1.5 t -127.92 122.35 32.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.585 ' O ' HG21 ' A' ' 9' ' ' VAL . 1.5 m -99.6 101.4 12.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.343 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' B' ' 103' ' ' GLN . 1.1 p -65.82 94.84 0.23 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.749 ' CG1' ' HB3' ' A' ' 14' ' ' TYR . 11.1 t -84.32 -120.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.529 ' HB3' ' O ' ' A' ' 9' ' ' VAL . 5.1 t70 75.27 -32.74 0.22 Allowed 'General case' 0 C--N 1.344 0.353 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -176.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.598 ' H ' ' C ' ' A' ' 9' ' ' VAL . 5.6 t -110.23 -35.93 5.96 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.012 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.733 ' HB2' HG11 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -77.53 170.88 15.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.212 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' B' ' 129' ' ' SER . 0.3 OUTLIER -67.11 -18.55 65.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.208 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.944 ' HA ' ' HG3' ' B' ' 132' ' ' MET . 0.8 OUTLIER -40.01 -51.0 2.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.131 0.491 . . . . 0.0 111.405 179.713 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.516 ' N ' ' CD2' ' A' ' 14' ' ' TYR . 4.1 mm100 -50.63 -40.16 52.27 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.78 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' B' ' 136' ' ' ALA . 4.8 mt -55.69 -50.96 68.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.712 0.292 . . . . 0.0 111.401 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' HB2' ' HB3' ' B' ' 132' ' ' MET . 0.3 OUTLIER -62.4 -48.5 79.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.578 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -71.69 -25.34 62.06 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.445 0.64 . . . . 0.0 110.314 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 67' ' ' ASP . . . -66.94 -18.33 65.33 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.557 178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' CD2' ' CD1' ' B' ' 139' ' ' LEU . 12.2 m-85 -130.28 9.77 5.24 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.215 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 168.25 62.78 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 18' ' ' LYS . 2.7 p -59.67 69.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 122.726 1.251 . . . . 0.0 110.492 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 21' ' ' ASP . 20.3 t-20 -149.85 64.19 0.99 Allowed 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 112.421 -2.172 . . . . 0.0 105.882 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.638 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -125.78 -31.7 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.157 -176.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ILE . 6.3 p -43.05 -48.38 6.09 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.93 -39.3 89.41 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' A' ' 24' ' ' ILE . 4.3 tp -54.41 -41.77 69.69 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.827 -0.686 . . . . 0.0 110.651 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.676 ' O ' ' HG2' ' A' ' 32' ' ' MET . 37.6 t -47.8 -57.69 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.56 ' O ' ' HB2' ' B' ' 113' ' ' SER . 0.7 OUTLIER -65.95 -19.59 65.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.605 178.041 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.7 m -80.12 -47.83 14.17 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.086 0.47 . . . . 0.0 109.788 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -56.37 -23.4 37.55 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.051 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.954 ' HG3' ' HA ' ' B' ' 114' ' ' TYR . 0.2 OUTLIER -79.14 -44.09 22.69 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.359 178.805 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.489 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 5.6 tp60 -50.07 -37.49 33.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.889 0.376 . . . . 0.0 110.361 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -73.37 -48.85 30.79 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.74 -12.82 61.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.743 ' N ' ' O ' ' A' ' 32' ' ' MET . . . -86.34 -52.85 5.37 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.715 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -56.44 15.98 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 121.9 0.857 . . . . 0.0 109.141 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.8 mtt-85 -61.77 -19.42 62.46 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.007 -1.452 . . . . 0.0 111.113 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -65.73 129.05 38.41 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.99 0.424 . . . . 0.0 110.584 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -167.3 44.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.63 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 66.9 -73.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.091 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -78.92 128.62 33.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 122.26 7.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -107.31 178.07 4.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.6 -74.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.0 t 67.01 -69.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.279 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -160.54 111.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.77 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -129.81 128.39 42.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -179.34 109.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.774 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -159.12 112.31 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.1 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.98 -27.13 17.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.753 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.9 mpt? 63.76 -77.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.711 0.291 . . . . 0.0 110.954 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.9 p -112.25 -45.51 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.904 0.383 . . . . 0.0 110.765 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -131.42 -89.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.234 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.09 25.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 57' ' ' ARG . . . -172.19 -71.84 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER 157.95 124.7 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.459 177.673 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -133.9 -99.46 0.26 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.215 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp 58.96 159.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-O 120.845 0.355 . . . . 0.0 111.018 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.74 126.71 27.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.82 129.05 55.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.38 -29.03 20.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 144.74 -106.07 0.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -146.0 86.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -113.43 127.55 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.62 -108.6 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER 173.61 40.12 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.968 0.413 . . . . 0.0 110.742 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.79 145.56 30.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.73 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -89.15 -27.77 20.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.036 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? 61.68 179.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -93.08 156.43 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.849 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.799 0.333 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.482 ' HA ' ' HB3' ' A' ' 10' ' ' ASP . 15.7 mmtt -146.27 158.8 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.498 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 1.8 tt0 -121.62 119.59 32.3 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.465 ' HG2' ' OG1' ' A' ' 6' ' ' THR . 8.2 ttt180 -92.1 102.4 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.516 HG22 ' CD1' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -94.4 109.45 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 177.365 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.671 ' HB ' ' HB ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -114.6 109.76 18.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.856 0.836 . . . . 0.0 113.057 -176.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 5' ' ' ILE . 2.4 p -100.76 81.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 114.067 -1.424 . . . . 0.0 108.491 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 4' ' ' ARG . 0.8 OUTLIER -55.84 91.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.671 ' CG2' ' HB3' ' B' ' 114' ' ' TYR . 73.3 t -82.4 -108.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.421 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . 0.633 ' HA ' ' CD ' ' B' ' 115' ' ' GLN . 1.0 OUTLIER 73.44 -41.44 0.49 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -177.125 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' SER . . . . . 0.583 ' H ' ' C ' ' B' ' 109' ' ' VAL . 5.5 t -101.18 -41.68 6.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.087 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . 0.495 ' HB3' ' CB ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -69.55 171.18 9.27 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.509 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.56 ' HB2' ' O ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -68.07 -18.09 64.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -177.144 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' TYR . . . . . 0.954 ' HA ' ' HG3' ' A' ' 32' ' ' MET . 1.1 t80 -41.4 -54.93 2.94 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.597 0.713 . . . . 0.0 110.404 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.633 ' CD ' ' HA ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER -50.71 -37.93 44.29 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.802 -178.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -38.54 71.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.041 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' B' ' 121' ' ' ASP . 0.6 OUTLIER -77.41 -43.53 32.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.693 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' LYS . . . . . 0.562 ' CG ' ' HA ' ' B' ' 115' ' ' GLN . 0.0 OUTLIER -73.47 -25.51 60.51 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.402 0.62 . . . . 0.0 110.671 -179.47 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' B' ' 167' ' ' ASP . . . -63.22 -26.51 68.83 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.647 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . 0.472 ' CD2' HD11 ' A' ' 39' ' ' LEU . 1.3 m-85 -131.85 17.76 4.67 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.093 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' B' ' 123' ' ' ASN . 0.7 OUTLIER 169.78 62.37 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.546 ' HA ' ' HA ' ' B' ' 118' ' ' LYS . 3.2 p -63.24 69.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 122.848 1.308 . . . . 0.0 109.543 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.589 ' N ' ' O ' ' B' ' 121' ' ' ASP . 7.5 t-20 -149.46 66.58 1.01 Allowed 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 112.076 -2.329 . . . . 0.0 105.942 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.601 ' N ' ' CD1' ' B' ' 124' ' ' ILE . 0.1 OUTLIER -132.72 -33.71 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.485 -1.534 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.201 -176.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' B' ' 128' ' ' VAL . 0.2 OUTLIER -48.65 -54.43 14.76 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.474 -178.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.84 -33.03 84.63 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.503 ' CB ' ' HA ' ' B' ' 124' ' ' ILE . 5.3 tt -61.58 -45.93 92.02 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.242 -0.479 . . . . 0.0 110.13 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . 0.749 ' O ' ' HG2' ' B' ' 132' ' ' MET . 2.9 t -40.12 -57.56 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.417 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' SER . . . . . 0.516 ' HA ' ' CG ' ' B' ' 132' ' ' MET . 9.2 p -63.2 -21.46 66.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.628 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' THR . . . . . 0.444 ' N ' ' O ' ' B' ' 127' ' ' LEU . 52.5 m -76.4 -48.98 17.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 32.4 m -55.27 -23.47 23.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.659 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' MET . . . . . 0.944 ' HG3' ' HA ' ' A' ' 14' ' ' TYR . 2.4 mmm -77.41 -45.29 26.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.875 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.413 ' HA ' ' HB3' ' B' ' 136' ' ' ALA . 3.4 tm0? -50.38 -38.35 42.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.333 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -77.22 -43.15 34.6 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.518 ' O ' ' HA ' ' B' ' 139' ' ' LEU . 66.8 mt-10 -76.64 -9.6 58.78 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . 0.807 ' N ' ' O ' ' B' ' 132' ' ' MET . . . -84.58 -51.78 6.61 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.749 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -56.47 19.19 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-O 121.884 0.85 . . . . 0.0 109.508 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 139' ' ' LEU . 0.0 OUTLIER -71.24 -20.87 62.19 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.027 -1.442 . . . . 0.0 111.772 -178.082 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' LEU . . . . . 0.561 ' CD1' ' CD2' ' A' ' 20' ' ' TYR . 0.3 OUTLIER 29.64 68.6 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.098 0.475 . . . . 0.0 112.099 -179.321 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.33 55.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.64 -165.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.465 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -155.12 160.18 40.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -120.4 108.83 14.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.051 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' B' ' 144' ' ' TRP . 1.7 p-90 -169.87 79.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -85.1 -172.36 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.01 159.01 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.85 -72.97 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -118.12 -178.3 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.46 174.66 6.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.78 -59.63 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.7 25.08 54.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -172.11 93.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.03 -39.75 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.298 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' GLU . . . . . 0.591 ' O ' ' CG2' ' B' ' 155' ' ' VAL . 33.2 tt0 -136.25 -95.81 0.23 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' VAL . . . . . 0.591 ' CG2' ' O ' ' B' ' 154' ' ' GLU . 2.5 t 142.84 94.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.331 0 C-N-CA 124.048 0.939 . . . . 0.0 109.3 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.91 -65.84 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.18 133.0 0.18 Allowed 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.273 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.49 71.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.78 172.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -43.56 132.81 4.69 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.802 0.334 . . . . 0.0 111.425 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' MET . . . . . . . . . . . . . 9.3 ttm -125.48 157.58 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.15 -29.11 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 125.56 173.64 13.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.71 -59.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.76 151.4 51.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . 66.42 -72.09 0.09 Allowed 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.444 0.64 . . . . 0.0 111.317 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' ASP . . . . . 0.513 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 5.8 t70 -179.76 -40.48 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.606 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -147.68 37.58 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -102.64 178.99 4.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.41 -65.78 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -133.86 -68.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' TRP . . . . . . . . . . . . . 2.9 t90 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.891 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 ptm . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.683 ' HB3' HG23 ' B' ' 108' ' ' THR . 5.5 mttt -136.61 158.22 44.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.551 ' N ' ' HB2' ' B' ' 110' ' ' ASP . 32.5 tp60 -126.75 119.37 26.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.552 ' HA ' ' HA ' ' B' ' 108' ' ' THR . 26.9 ttt180 -86.69 99.5 11.8 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.571 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.788 HG21 ' CD2' ' B' ' 114' ' ' TYR . 0.1 OUTLIER -100.02 110.31 26.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.688 ' HB ' ' HB ' ' B' ' 106' ' ' THR . 1.5 t -127.92 122.35 32.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' B' ' 128' ' ' VAL . 1.5 m -99.6 101.4 12.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.343 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' B' ' 103' ' ' GLN . 1.1 p -65.82 94.84 0.23 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.002 HG21 ' CB ' ' A' ' 14' ' ' TYR . 11.1 t -84.32 -120.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.544 ' HB3' ' O ' ' A' ' 9' ' ' VAL . 5.1 t70 75.27 -32.74 0.22 Allowed 'General case' 0 C--N 1.344 0.353 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -176.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.563 ' H ' ' C ' ' A' ' 9' ' ' VAL . 5.6 t -110.23 -35.93 5.96 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.012 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.875 ' HB2' HG13 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -77.53 170.88 15.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.212 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' B' ' 129' ' ' SER . 0.3 OUTLIER -67.11 -18.55 65.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.208 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 1.002 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.8 OUTLIER -40.01 -51.0 2.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.131 0.491 . . . . 0.0 111.405 179.713 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.516 ' N ' ' CD2' ' A' ' 14' ' ' TYR . 4.1 mm100 -50.63 -40.16 52.27 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.78 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' HB3' ' HB1' ' B' ' 136' ' ' ALA . 4.8 mt -55.69 -50.96 68.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.712 0.292 . . . . 0.0 111.401 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' B' ' 135' ' ' GLU . 0.3 OUTLIER -62.4 -48.5 79.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.578 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -71.69 -25.34 62.06 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.445 0.64 . . . . 0.0 110.314 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.608 ' O ' ' HB2' ' A' ' 67' ' ' ASP . . . -66.94 -18.33 65.33 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.557 178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.742 ' CD2' HD11 ' B' ' 139' ' ' LEU . 12.2 m-85 -130.28 9.77 5.24 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.215 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 168.25 62.78 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.584 ' HA ' ' HA ' ' A' ' 18' ' ' LYS . 2.7 p -59.67 69.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 122.726 1.251 . . . . 0.0 110.492 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 21' ' ' ASP . 20.3 t-20 -149.85 64.19 0.99 Allowed 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 112.421 -2.172 . . . . 0.0 105.882 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.987 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -125.78 -31.7 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.157 -176.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ILE . 6.3 p -43.05 -48.38 6.09 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.93 -39.3 89.41 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.635 ' HB3' ' O ' ' A' ' 24' ' ' ILE . 4.3 tp -54.41 -41.77 69.69 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.827 -0.686 . . . . 0.0 110.651 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.736 ' O ' HG22 ' A' ' 31' ' ' THR . 37.6 t -47.8 -57.69 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.545 ' O ' ' HB2' ' B' ' 113' ' ' SER . 0.7 OUTLIER -65.95 -19.59 65.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.605 178.041 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.7 m -80.12 -47.83 14.17 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.086 0.47 . . . . 0.0 109.788 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 28' ' ' VAL . 4.9 t -56.37 -23.4 37.55 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.051 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.974 ' HG3' ' HA ' ' B' ' 114' ' ' TYR . 0.2 OUTLIER -79.14 -44.09 22.69 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.359 178.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 5.6 tp60 -50.07 -37.49 33.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.889 0.376 . . . . 0.0 110.361 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -73.37 -48.85 30.79 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.74 -12.82 61.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.743 ' N ' ' O ' ' A' ' 32' ' ' MET . . . -86.34 -52.85 5.37 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.715 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -56.44 15.98 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 121.9 0.857 . . . . 0.0 109.141 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.8 mtt-85 -61.77 -19.42 62.46 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.007 -1.452 . . . . 0.0 111.113 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.597 HD21 ' HE2' ' B' ' 120' ' ' TYR . 0.0 OUTLIER -65.73 129.05 38.41 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.99 0.424 . . . . 0.0 110.584 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -167.3 44.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.63 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 66.9 -73.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.091 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -78.92 128.62 33.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 122.26 7.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -107.31 178.07 4.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.6 -74.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.0 t 67.01 -69.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.279 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -160.54 111.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.77 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -129.81 128.39 42.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -179.34 109.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.774 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -159.12 112.31 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.1 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.98 -27.13 17.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.753 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.9 mpt? 63.76 -77.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.711 0.291 . . . . 0.0 110.954 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 54' ' ' GLU . 12.9 p -112.25 -45.51 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.904 0.383 . . . . 0.0 110.765 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' N ' HG13 ' A' ' 53' ' ' VAL . 5.9 mm-40 -131.42 -89.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.234 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.09 25.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 57' ' ' ARG . . . -172.19 -71.84 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER 157.95 124.7 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.459 177.673 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -133.9 -99.46 0.26 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.215 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.495 HG22 ' N ' ' A' ' 60' ' ' GLU . 2.9 mp 58.96 159.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-O 120.845 0.355 . . . . 0.0 111.018 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -135.74 126.71 27.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.938 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.82 129.05 55.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.38 -29.03 20.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 144.74 -106.07 0.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -146.0 86.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -113.43 127.55 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.62 -108.6 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.608 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER 173.61 40.12 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.968 0.413 . . . . 0.0 110.742 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.79 145.56 30.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.73 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -89.15 -27.77 20.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.036 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? 61.68 179.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -93.08 156.43 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.849 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.799 0.333 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.503 ' HA ' ' HB3' ' A' ' 10' ' ' ASP . 15.7 mmtt -146.27 158.8 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.527 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 1.8 tt0 -121.62 119.59 32.3 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.493 ' HG2' ' OG1' ' A' ' 6' ' ' THR . 8.2 ttt180 -92.1 102.4 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.696 HD13 ' CD1' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -94.4 109.45 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 177.365 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.688 ' HB ' ' HB ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -114.6 109.76 18.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.856 0.836 . . . . 0.0 113.057 -176.745 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.694 ' O ' HG23 ' B' ' 109' ' ' VAL . 2.4 p -100.76 81.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 114.067 -1.424 . . . . 0.0 108.491 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 2' ' ' LYS . 0.8 OUTLIER -55.84 91.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 1.005 HG21 ' HB3' ' B' ' 114' ' ' TYR . 73.3 t -82.4 -108.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.421 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ASP . . . . . 0.751 ' N ' HG12 ' B' ' 109' ' ' VAL . 1.0 OUTLIER 73.44 -41.44 0.49 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -177.125 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 111' ' ' SER . . . . . 0.554 ' H ' ' C ' ' B' ' 109' ' ' VAL . 5.5 t -101.18 -41.68 6.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.087 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ASP . . . . . 0.785 ' HB2' HG13 ' B' ' 109' ' ' VAL . 0.4 OUTLIER -69.55 171.18 9.27 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.509 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.545 ' HB2' ' O ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -68.07 -18.09 64.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -177.144 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 114' ' ' TYR . . . . . 1.005 ' HB3' HG21 ' B' ' 109' ' ' VAL . 1.1 t80 -41.4 -54.93 2.94 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.597 0.713 . . . . 0.0 110.404 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.64 ' CD ' ' HA ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER -50.71 -37.93 44.29 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.802 -178.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.739 HD13 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -56.32 -38.54 71.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.041 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 32' ' ' MET . 0.6 OUTLIER -77.41 -43.53 32.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.693 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 118' ' ' LYS . . . . . 0.595 ' CG ' ' HA ' ' B' ' 115' ' ' GLN . 0.0 OUTLIER -73.47 -25.51 60.51 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.402 0.62 . . . . 0.0 110.671 -179.47 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.539 ' O ' ' HB3' ' B' ' 167' ' ' ASP . . . -63.22 -26.51 68.83 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.647 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' TYR . . . . . 0.597 ' HE2' HD21 ' A' ' 39' ' ' LEU . 1.3 m-85 -131.85 17.76 4.67 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.093 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' B' ' 123' ' ' ASN . 0.7 OUTLIER 169.78 62.37 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.568 ' HA ' ' HA ' ' B' ' 118' ' ' LYS . 3.2 p -63.24 69.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 122.848 1.308 . . . . 0.0 109.543 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.589 ' N ' ' O ' ' B' ' 121' ' ' ASP . 7.5 t-20 -149.46 66.58 1.01 Allowed 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 112.076 -2.329 . . . . 0.0 105.942 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.974 ' H ' HD12 ' B' ' 124' ' ' ILE . 0.1 OUTLIER -132.72 -33.71 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.485 -1.534 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.201 -176.716 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' B' ' 128' ' ' VAL . 0.2 OUTLIER -48.65 -54.43 14.76 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.474 -178.207 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.84 -33.03 84.63 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.524 ' CB ' ' HA ' ' B' ' 124' ' ' ILE . 5.3 tt -61.58 -45.93 92.02 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.242 -0.479 . . . . 0.0 110.13 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.759 ' O ' ' HG2' ' B' ' 132' ' ' MET . 2.9 t -40.12 -57.56 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.417 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' SER . . . . . 0.555 ' HA ' ' CG ' ' B' ' 132' ' ' MET . 9.2 p -63.2 -21.46 66.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.628 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' THR . . . . . 0.444 ' N ' ' O ' ' B' ' 127' ' ' LEU . 52.5 m -76.4 -48.98 17.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 32.4 m -55.27 -23.47 23.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.659 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' MET . . . . . 0.953 ' HG3' ' HA ' ' A' ' 14' ' ' TYR . 2.4 mmm -77.41 -45.29 26.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.875 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 3.4 tm0? -50.38 -38.35 42.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.333 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -77.22 -43.15 34.6 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.818 ' HB3' HD21 ' A' ' 17' ' ' LEU . 66.8 mt-10 -76.64 -9.6 58.78 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.807 ' N ' ' O ' ' B' ' 132' ' ' MET . . . -84.58 -51.78 6.61 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.749 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -56.47 19.19 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-O 121.884 0.85 . . . . 0.0 109.508 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 139' ' ' LEU . 0.0 OUTLIER -71.24 -20.87 62.19 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.027 -1.442 . . . . 0.0 111.772 -178.082 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 139' ' ' LEU . . . . . 0.742 HD11 ' CD2' ' A' ' 20' ' ' TYR . 0.3 OUTLIER 29.64 68.6 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.098 0.475 . . . . 0.0 112.099 -179.321 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.33 55.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.64 -165.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.465 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -155.12 160.18 40.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -120.4 108.83 14.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.051 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' B' ' 144' ' ' TRP . 1.7 p-90 -169.87 79.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 145' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -85.1 -172.36 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' VAL . . . . . 0.489 HG12 ' N ' ' B' ' 147' ' ' GLU . 21.4 t -80.01 159.01 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLU . . . . . 0.489 ' N ' HG12 ' B' ' 146' ' ' VAL . 0.5 OUTLIER -98.85 -72.97 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -118.12 -178.3 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.46 174.66 6.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.78 -59.63 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.7 25.08 54.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -172.11 93.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.03 -39.75 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.298 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' GLU . . . . . 0.784 ' O ' HG23 ' B' ' 155' ' ' VAL . 33.2 tt0 -136.25 -95.81 0.23 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 155' ' ' VAL . . . . . 0.784 HG23 ' O ' ' B' ' 154' ' ' GLU . 2.5 t 142.84 94.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.331 0 C-N-CA 124.048 0.939 . . . . 0.0 109.3 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.91 -65.84 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.18 133.0 0.18 Allowed 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.273 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 158' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.49 71.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.78 172.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -43.56 132.81 4.69 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.802 0.334 . . . . 0.0 111.425 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' MET . . . . . 0.406 ' HB2' ' HE3' ' B' ' 161' ' ' MET . 9.3 ttm -125.48 157.58 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 162' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.15 -29.11 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 125.56 173.64 13.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.71 -59.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.76 151.4 51.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . 66.42 -72.09 0.09 Allowed 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.444 0.64 . . . . 0.0 111.317 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' ASP . . . . . 0.539 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 5.8 t70 -179.76 -40.48 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.606 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -147.68 37.58 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 169' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -102.64 178.99 4.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.41 -65.78 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 171' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -133.86 -68.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' TRP . . . . . . . . . . . . . 2.9 t90 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.891 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 ptm . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.791 0.329 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.683 ' HB3' HG23 ' B' ' 108' ' ' THR . 5.5 mttt -136.61 158.22 44.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.551 ' N ' ' HB2' ' B' ' 110' ' ' ASP . 32.5 tp60 -126.75 119.37 26.74 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.552 ' HA ' ' HA ' ' B' ' 108' ' ' THR . 26.9 ttt180 -86.69 99.5 11.8 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.571 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.788 HG21 ' CD2' ' B' ' 114' ' ' TYR . 0.1 OUTLIER -100.02 110.31 26.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.688 ' HB ' ' HB ' ' B' ' 106' ' ' THR . 1.5 t -127.92 122.35 32.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -176.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' B' ' 128' ' ' VAL . 1.5 m -99.6 101.4 12.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.343 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' B' ' 103' ' ' GLN . 1.1 p -65.82 94.84 0.23 Allowed 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.002 HG21 ' CB ' ' A' ' 14' ' ' TYR . 11.1 t -84.32 -120.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.544 ' HB3' ' O ' ' A' ' 9' ' ' VAL . 5.1 t70 75.27 -32.74 0.22 Allowed 'General case' 0 C--N 1.344 0.353 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -176.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.563 ' H ' ' C ' ' A' ' 9' ' ' VAL . 5.6 t -110.23 -35.93 5.96 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.012 178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.875 ' HB2' HG13 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -77.53 170.88 15.8 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.212 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' B' ' 129' ' ' SER . 0.3 OUTLIER -67.11 -18.55 65.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 1.002 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.8 OUTLIER -40.01 -51.0 2.57 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.131 0.491 . . . . 0.0 111.405 179.713 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.516 ' N ' ' CD2' ' A' ' 14' ' ' TYR . 4.1 mm100 -50.63 -40.16 52.27 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.78 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' HB3' ' HB1' ' B' ' 136' ' ' ALA . 4.8 mt -55.69 -50.96 68.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.712 0.292 . . . . 0.0 111.401 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.818 HD21 ' HB3' ' B' ' 135' ' ' GLU . 0.3 OUTLIER -62.4 -48.5 79.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.578 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -71.69 -25.34 62.06 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-O 121.445 0.64 . . . . 0.0 110.314 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.608 ' O ' ' HB2' ' A' ' 67' ' ' ASP . . . -66.94 -18.33 65.33 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.557 178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.742 ' CD2' HD11 ' B' ' 139' ' ' LEU . 12.2 m-85 -130.28 9.77 5.24 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.215 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 168.25 62.78 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.584 ' HA ' ' HA ' ' A' ' 18' ' ' LYS . 2.7 p -59.67 69.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 122.726 1.251 . . . . 0.0 110.492 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 21' ' ' ASP . 20.3 t-20 -149.85 64.19 0.99 Allowed 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 112.421 -2.172 . . . . 0.0 105.882 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.987 HD13 ' H ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -125.78 -31.7 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.954 0 CA-C-N 114.306 -1.316 . . . . 0.0 111.157 -176.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ILE . 6.3 p -43.05 -48.38 6.09 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.93 -39.3 89.41 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.635 ' HB3' ' O ' ' A' ' 24' ' ' ILE . 4.3 tp -54.41 -41.77 69.69 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.827 -0.686 . . . . 0.0 110.651 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.736 ' O ' HG22 ' A' ' 31' ' ' THR . 37.6 t -47.8 -57.69 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.545 ' O ' ' HB2' ' B' ' 113' ' ' SER . 0.7 OUTLIER -65.95 -19.59 65.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.605 178.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.7 m -80.12 -47.83 14.17 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.086 0.47 . . . . 0.0 109.788 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 28' ' ' VAL . 4.9 t -56.37 -23.4 37.55 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.051 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.974 ' HG3' ' HA ' ' B' ' 114' ' ' TYR . 0.2 OUTLIER -79.14 -44.09 22.69 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.359 178.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 5.6 tp60 -50.07 -37.49 33.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.889 0.376 . . . . 0.0 110.361 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -73.37 -48.85 30.79 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.74 -12.82 61.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.743 ' N ' ' O ' ' A' ' 32' ' ' MET . . . -86.34 -52.85 5.37 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.715 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -56.44 15.98 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 121.9 0.857 . . . . 0.0 109.141 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.8 mtt-85 -61.77 -19.42 62.46 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.007 -1.452 . . . . 0.0 111.113 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.597 HD21 ' HE2' ' B' ' 120' ' ' TYR . 0.0 OUTLIER -65.73 129.05 38.41 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.99 0.424 . . . . 0.0 110.584 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -167.3 44.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.63 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 66.9 -73.82 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.091 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -78.92 128.62 33.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 122.26 7.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -107.31 178.07 4.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.024 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.6 -74.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.0 t 67.01 -69.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.279 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -160.54 111.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.77 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -129.81 128.39 42.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -179.34 109.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.774 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -159.12 112.31 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.1 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.98 -27.13 17.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.753 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.9 mpt? 63.76 -77.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.711 0.291 . . . . 0.0 110.954 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 54' ' ' GLU . 12.9 p -112.25 -45.51 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.904 0.383 . . . . 0.0 110.765 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' N ' HG13 ' A' ' 53' ' ' VAL . 5.9 mm-40 -131.42 -89.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.234 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.09 25.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 57' ' ' ARG . . . -172.19 -71.84 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER 157.95 124.7 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.459 177.673 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -133.9 -99.46 0.26 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.215 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.495 HG22 ' N ' ' A' ' 60' ' ' GLU . 2.9 mp 58.96 159.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-O 120.845 0.355 . . . . 0.0 111.018 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -135.74 126.71 27.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.938 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.82 129.05 55.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.38 -29.03 20.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 144.74 -106.07 0.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -146.0 86.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -113.43 127.55 56.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.62 -108.6 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.608 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER 173.61 40.12 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.968 0.413 . . . . 0.0 110.742 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -145.79 145.56 30.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.73 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -89.15 -27.77 20.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.036 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? 61.68 179.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -93.08 156.43 16.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.849 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.8 ttt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.799 0.333 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.503 ' HA ' ' HB3' ' A' ' 10' ' ' ASP . 15.7 mmtt -146.27 158.8 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.527 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 1.8 tt0 -121.62 119.59 32.3 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.493 ' HG2' ' OG1' ' A' ' 6' ' ' THR . 8.2 ttt180 -92.1 102.4 14.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.696 HD13 ' CD1' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -94.4 109.45 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 177.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.688 ' HB ' ' HB ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -114.6 109.76 18.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.856 0.836 . . . . 0.0 113.057 -176.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.694 ' O ' HG23 ' B' ' 109' ' ' VAL . 2.4 p -100.76 81.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 114.067 -1.424 . . . . 0.0 108.491 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 2' ' ' LYS . 0.8 OUTLIER -55.84 91.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 1.005 HG21 ' HB3' ' B' ' 114' ' ' TYR . 73.3 t -82.4 -108.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.421 -177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . 0.751 ' N ' HG12 ' B' ' 109' ' ' VAL . 1.0 OUTLIER 73.44 -41.44 0.49 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -177.125 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . 0.554 ' H ' ' C ' ' B' ' 109' ' ' VAL . 5.5 t -101.18 -41.68 6.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.087 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . 0.785 ' HB2' HG13 ' B' ' 109' ' ' VAL . 0.4 OUTLIER -69.55 171.18 9.27 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.509 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.545 ' HB2' ' O ' ' A' ' 29' ' ' SER . 0.4 OUTLIER -68.07 -18.09 64.57 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -177.144 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' TYR . . . . . 1.005 ' HB3' HG21 ' B' ' 109' ' ' VAL . 1.1 t80 -41.4 -54.93 2.94 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.597 0.713 . . . . 0.0 110.404 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.64 ' CD ' ' HA ' ' B' ' 110' ' ' ASP . 0.3 OUTLIER -50.71 -37.93 44.29 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.802 -178.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.739 HD13 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -56.32 -38.54 71.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.041 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 32' ' ' MET . 0.6 OUTLIER -77.41 -43.53 32.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.693 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' LYS . . . . . 0.595 ' CG ' ' HA ' ' B' ' 115' ' ' GLN . 0.0 OUTLIER -73.47 -25.51 60.51 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.402 0.62 . . . . 0.0 110.671 -179.47 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.539 ' O ' ' HB3' ' B' ' 167' ' ' ASP . . . -63.22 -26.51 68.83 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.647 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . 0.597 ' HE2' HD21 ' A' ' 39' ' ' LEU . 1.3 m-85 -131.85 17.76 4.67 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.093 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' B' ' 123' ' ' ASN . 0.7 OUTLIER 169.78 62.37 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.568 ' HA ' ' HA ' ' B' ' 118' ' ' LYS . 3.2 p -63.24 69.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 122.848 1.308 . . . . 0.0 109.543 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.589 ' N ' ' O ' ' B' ' 121' ' ' ASP . 7.5 t-20 -149.46 66.58 1.01 Allowed 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 112.076 -2.329 . . . . 0.0 105.942 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.974 ' H ' HD12 ' B' ' 124' ' ' ILE . 0.1 OUTLIER -132.72 -33.71 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.485 -1.534 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.201 -176.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' B' ' 128' ' ' VAL . 0.2 OUTLIER -48.65 -54.43 14.76 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 119.156 -1.018 . . . . 0.0 109.474 -178.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.84 -33.03 84.63 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.524 ' CB ' ' HA ' ' B' ' 124' ' ' ILE . 5.3 tt -61.58 -45.93 92.02 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.242 -0.479 . . . . 0.0 110.13 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.759 ' O ' ' HG2' ' B' ' 132' ' ' MET . 2.9 t -40.12 -57.56 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.417 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . 0.555 ' HA ' ' CG ' ' B' ' 132' ' ' MET . 9.2 p -63.2 -21.46 66.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.628 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . 0.444 ' N ' ' O ' ' B' ' 127' ' ' LEU . 52.5 m -76.4 -48.98 17.95 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 32.4 m -55.27 -23.47 23.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.659 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . 0.953 ' HG3' ' HA ' ' A' ' 14' ' ' TYR . 2.4 mmm -77.41 -45.29 26.31 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.875 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.41 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 3.4 tm0? -50.38 -38.35 42.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.333 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -77.22 -43.15 34.6 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.818 ' HB3' HD21 ' A' ' 17' ' ' LEU . 66.8 mt-10 -76.64 -9.6 58.78 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.807 ' N ' ' O ' ' B' ' 132' ' ' MET . . . -84.58 -51.78 6.61 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.749 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -56.47 19.19 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-O 121.884 0.85 . . . . 0.0 109.508 178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 139' ' ' LEU . 0.0 OUTLIER -71.24 -20.87 62.19 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.027 -1.442 . . . . 0.0 111.772 -178.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' LEU . . . . . 0.742 HD11 ' CD2' ' A' ' 20' ' ' TYR . 0.3 OUTLIER 29.64 68.6 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.098 0.475 . . . . 0.0 112.099 -179.321 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.33 55.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.457 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' ALA . . . . . . . . . . . . . . . -56.64 -165.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.465 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -155.12 160.18 40.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 48.4 mtt85 -120.4 108.83 14.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.051 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' B' ' 144' ' ' TRP . 1.7 p-90 -169.87 79.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -85.1 -172.36 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' VAL . . . . . 0.489 HG12 ' N ' ' B' ' 147' ' ' GLU . 21.4 t -80.01 159.01 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . 0.489 ' N ' HG12 ' B' ' 146' ' ' VAL . 0.5 OUTLIER -98.85 -72.97 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -118.12 -178.3 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.46 174.66 6.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -110.78 -59.63 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.7 25.08 54.51 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -172.11 93.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.03 -39.75 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.298 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' GLU . . . . . 0.784 ' O ' HG23 ' B' ' 155' ' ' VAL . 33.2 tt0 -136.25 -95.81 0.23 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' VAL . . . . . 0.784 HG23 ' O ' ' B' ' 154' ' ' GLU . 2.5 t 142.84 94.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.331 0 C-N-CA 124.048 0.939 . . . . 0.0 109.3 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.91 -65.84 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.18 133.0 0.18 Allowed 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.273 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -163.49 71.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.78 172.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -43.56 132.81 4.69 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.802 0.334 . . . . 0.0 111.425 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' MET . . . . . 0.406 ' HB2' ' HE3' ' B' ' 161' ' ' MET . 9.3 ttm -125.48 157.58 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.15 -29.11 7.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 125.56 173.64 13.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.71 -59.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.76 151.4 51.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . 66.42 -72.09 0.09 Allowed 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.444 0.64 . . . . 0.0 111.317 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' ASP . . . . . 0.539 ' HB3' ' O ' ' B' ' 119' ' ' ALA . 5.8 t70 -179.76 -40.48 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.606 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -147.68 37.58 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -102.64 178.99 4.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.41 -65.78 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -133.86 -68.34 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' TRP . . . . . . . . . . . . . 2.9 t90 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.891 179.99 . . . . . . . . 0 0 . 1 stop_ save_