data_1qli_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 1qli _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 ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.851 0.834 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -162.78 171.92 16.02 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.985 -1.916 . . . . 0.0 108.868 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -123.36 125.36 44.87 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.238 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.446 ' C ' ' H ' ' A' ' 122' ' ' ARG . 35.3 t -68.32 104.67 1.92 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.9 -1.954 . . . . 0.0 108.734 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 m -82.2 27.78 0.47 Allowed 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.862 -1.972 . . . . 0.0 111.713 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 120' ' ' CYS . 0.8 OUTLIER -101.31 -62.4 1.25 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 113.719 -1.582 . . . . 0.0 108.46 178.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 124' ' ' GLY . 9.1 p -80.99 -47.97 12.9 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.653 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 123' ' ' CYS . . . 118.33 30.08 1.8 Allowed Glycine 0 C--N 1.346 1.136 0 CA-C-N 112.066 -2.333 . . . . 0.0 111.647 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -124.02 136.66 54.43 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 113.326 -1.437 . . . . 0.0 109.808 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.7 m -75.52 141.64 42.98 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 112.893 -1.958 . . . . 0.0 108.853 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.5 p -152.95 160.8 2.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.731 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -160.17 -25.35 0.06 Allowed 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.547 -2.115 . . . . 0.0 110.122 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -163.23 88.85 0.6 Allowed 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.367 -1.742 . . . . 0.0 109.718 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -160.87 -115.22 0.02 OUTLIER 'General case' 0 C--N 1.347 0.48 0 CA-C-N 112.94 -1.937 . . . . 0.0 109.209 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -90.65 7.65 38.3 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.696 -1.593 . . . . 0.0 109.945 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.15 156.76 30.66 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.207 -1.815 . . . . 0.0 110.614 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.9 m -136.14 151.55 29.02 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 CA-C-N 112.495 -2.139 . . . . 0.0 109.383 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 54.4 mt -94.18 114.01 29.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 CA-C-N 113.006 -1.906 . . . . 0.0 109.392 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -92.42 53.26 2.76 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-N 112.757 -2.02 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 55.91 21.82 5.21 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 112.478 -1.861 . . . . 0.0 111.748 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 159.61 -50.4 0.39 Allowed Glycine 0 C--N 1.351 1.376 0 C-N-CA 117.886 -2.102 . . . . 0.0 112.645 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 140' ' ' TRP . 38.1 mmtm -97.77 142.52 24.69 Favored Pre-proline 0 C--N 1.352 0.682 0 C-N-CA 118.38 -1.328 . . . . 0.0 111.21 -178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -80.95 132.01 8.28 Favored 'Trans proline' 0 C--N 1.364 1.372 0 C-N-CA 122.59 2.193 . . . . 0.0 111.143 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 138' ' ' LYS . 9.3 m95 -138.58 -162.85 1.37 Allowed 'General case' 0 C--N 1.352 0.674 0 CA-C-N 114.031 -1.441 . . . . 0.0 109.8 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 144' ' ' CYS . 2.3 m170 -130.02 169.94 14.62 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 111.92 -2.4 . . . . 0.0 107.511 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -87.68 55.57 3.55 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.936 -1.483 . . . . 0.0 109.152 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' A' ' 145' ' ' PHE . 20.2 t-20 173.12 -27.64 0.0 OUTLIER 'General case' 0 C--N 1.355 0.824 0 CA-C-N 112.38 -2.191 . . . . 0.0 109.864 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 141' ' ' HIS . 82.8 m -84.94 27.34 0.77 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.955 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 143' ' ' ASN . 14.0 m-85 -69.79 120.9 16.23 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 113.354 -1.748 . . . . 0.0 110.604 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -121.2 117.31 26.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.432 -2.167 . . . . 0.0 108.091 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . 0.471 ' SG ' ' HG3' ' A' ' 149' ' ' LYS . 8.5 t -57.75 136.99 56.98 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.216 -1.811 . . . . 0.0 112.138 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.15 -17.77 59.42 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 112.702 -2.045 . . . . 0.0 112.04 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.586 ' CD ' ' SG ' ' A' ' 171' ' ' CYS . 11.1 ptpt -108.82 -59.07 1.93 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 118.102 -1.439 . . . . 0.0 113.046 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.428 ' H ' ' HG3' ' A' ' 149' ' ' LYS . 14.3 p -85.99 -6.35 59.06 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 117.584 -1.647 . . . . 0.0 111.716 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 56.66 5.66 1.34 Allowed Glycine 0 C--N 1.357 1.724 0 CA-C-N 114.094 -1.412 . . . . 0.0 114.425 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 150' ' ' CYS . 57.2 mttp -61.56 156.17 20.35 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.324 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 43.7 p -80.58 127.77 32.83 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 112.058 -2.337 . . . . 0.0 108.031 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.421 HD11 ' CB ' ' A' ' 168' ' ' CYS . 0.1 OUTLIER -130.39 102.98 6.41 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.556 -1.656 . . . . 0.0 109.57 -177.665 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -91.35 -175.75 4.34 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 112.445 -2.162 . . . . 0.0 109.568 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 76.22 155.24 0.16 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.97 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.3 t -95.92 71.84 2.97 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 112.81 -1.996 . . . . 0.0 110.47 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.601 ' HG1' ' HZ2' ' A' ' 169' ' ' LYS . 0.0 OUTLIER -172.9 113.57 0.25 Allowed 'General case' 0 C--N 1.346 0.452 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.079 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.489 ' CD1' ' H ' ' A' ' 169' ' ' LYS . 8.2 tp -168.09 -141.84 0.04 OUTLIER 'General case' 0 C--N 1.35 0.587 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.074 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.74 152.63 30.12 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 118.374 -1.33 . . . . 0.0 109.843 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 166' ' ' ILE . 40.6 mt-10 -129.45 134.05 47.62 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 112.583 -2.099 . . . . 0.0 109.329 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -172.3 167.35 5.8 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.26 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 62.55 31.65 16.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 112.053 -2.339 . . . . 0.0 112.142 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.8 -2.87 66.56 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 113.5 -1.682 . . . . 0.0 112.765 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -135.0 -142.1 0.18 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.609 -1.295 . . . . 0.0 108.654 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 161' ' ' GLU . 18.2 pt -146.17 130.2 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.305 -1.316 . . . . 0.0 108.254 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -110.03 163.74 13.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.698 -2.046 . . . . 0.0 109.677 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 171' ' ' CYS . 0.5 OUTLIER -101.0 142.24 32.75 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 113.639 -1.619 . . . . 0.0 110.513 -179.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.601 ' HZ2' ' HG1' ' A' ' 158' ' ' THR . 39.3 pttt -68.87 -18.67 64.17 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.091 -1.868 . . . . 0.0 109.466 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . -62.48 -26.38 68.11 Favored Glycine 0 C--N 1.359 1.823 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.849 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.586 ' SG ' ' CD ' ' A' ' 149' ' ' LYS . 1.3 m -72.11 -51.13 22.88 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 113.463 -1.368 . . . . 0.0 109.77 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -70.7 -4.27 22.76 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 112.411 -2.177 . . . . 0.0 110.142 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -88.58 -27.59 21.27 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.186 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -71.02 -60.42 2.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.286 -1.779 . . . . 0.0 110.236 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 25.6 m120 . . . . . 0 C--N 1.351 0.668 0 CA-C-N 112.912 -1.949 . . . . 0.0 110.251 -179.672 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.851 0.834 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -162.78 171.92 16.02 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.985 -1.916 . . . . 0.0 108.868 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 126' ' ' SER . 49.7 pttt -123.36 125.36 44.87 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.238 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.32 104.67 1.92 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.9 -1.954 . . . . 0.0 108.734 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 m -82.2 27.78 0.47 Allowed 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.862 -1.972 . . . . 0.0 111.713 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.31 -62.4 1.25 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 113.719 -1.582 . . . . 0.0 108.46 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 124' ' ' GLY . 9.1 p -80.99 -47.97 12.9 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.653 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 123' ' ' CYS . . . 118.33 30.08 1.8 Allowed Glycine 0 C--N 1.346 1.136 0 CA-C-N 112.066 -2.333 . . . . 0.0 111.647 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -124.02 136.66 54.43 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 113.326 -1.437 . . . . 0.0 109.808 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 119' ' ' LYS . 72.7 m -75.52 141.64 42.98 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 112.893 -1.958 . . . . 0.0 108.853 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 128' ' ' TYR . 12.5 p -152.95 160.8 2.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.731 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.43 ' N ' HG22 ' A' ' 127' ' ' VAL . 48.1 p90 -160.17 -25.35 0.06 Allowed 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.547 -2.115 . . . . 0.0 110.122 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' A' ' 128' ' ' TYR . . . -163.23 88.85 0.6 Allowed 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.367 -1.742 . . . . 0.0 109.718 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -160.87 -115.22 0.02 OUTLIER 'General case' 0 C--N 1.347 0.48 0 CA-C-N 112.94 -1.937 . . . . 0.0 109.209 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -90.65 7.65 38.3 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.696 -1.593 . . . . 0.0 109.945 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.15 156.76 30.66 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.207 -1.815 . . . . 0.0 110.614 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.9 m -136.14 151.55 29.02 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 CA-C-N 112.495 -2.139 . . . . 0.0 109.383 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 54.4 mt -94.18 114.01 29.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 CA-C-N 113.006 -1.906 . . . . 0.0 109.392 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -92.42 53.26 2.76 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-N 112.757 -2.02 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 55.91 21.82 5.21 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 112.478 -1.861 . . . . 0.0 111.748 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 159.61 -50.4 0.39 Allowed Glycine 0 C--N 1.351 1.376 0 C-N-CA 117.886 -2.102 . . . . 0.0 112.645 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 140' ' ' TRP . 38.1 mmtm -97.77 142.52 24.69 Favored Pre-proline 0 C--N 1.352 0.682 0 C-N-CA 118.38 -1.328 . . . . 0.0 111.21 -178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -80.95 132.01 8.28 Favored 'Trans proline' 0 C--N 1.364 1.372 0 C-N-CA 122.59 2.193 . . . . 0.0 111.143 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 138' ' ' LYS . 9.3 m95 -138.58 -162.85 1.37 Allowed 'General case' 0 C--N 1.352 0.674 0 CA-C-N 114.031 -1.441 . . . . 0.0 109.8 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.565 ' HB2' ' SG ' ' A' ' 144' ' ' CYS . 2.3 m170 -130.02 169.94 14.62 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 111.92 -2.4 . . . . 0.0 107.511 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -87.68 55.57 3.55 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.936 -1.483 . . . . 0.0 109.152 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.9 t30 173.12 -27.64 0.0 OUTLIER 'General case' 0 C--N 1.355 0.824 0 CA-C-N 112.38 -2.191 . . . . 0.0 109.864 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 141' ' ' HIS . 82.8 m -84.94 27.34 0.77 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.955 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.559 ' CD2' HD23 ' A' ' 159' ' ' LEU . 14.0 m-85 -69.79 120.9 16.23 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 113.354 -1.748 . . . . 0.0 110.604 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -121.2 117.31 26.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.432 -2.167 . . . . 0.0 108.091 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' CYS . . . . . 0.474 ' SG ' ' HG3' ' A' ' 149' ' ' LYS . 8.5 t -57.75 136.99 56.98 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.216 -1.811 . . . . 0.0 112.138 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.15 -17.77 59.42 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 112.702 -2.045 . . . . 0.0 112.04 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.586 ' CD ' ' SG ' ' A' ' 171' ' ' CYS . 11.1 ptpt -108.82 -59.07 1.93 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 118.102 -1.439 . . . . 0.0 113.046 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.413 ' H ' ' HG3' ' A' ' 149' ' ' LYS . 14.3 p -85.99 -6.35 59.06 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 117.584 -1.647 . . . . 0.0 111.716 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 56.66 5.66 1.34 Allowed Glycine 0 C--N 1.357 1.724 0 CA-C-N 114.094 -1.412 . . . . 0.0 114.425 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 150' ' ' CYS . 57.2 mttp -61.56 156.17 20.35 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.324 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 43.7 p -80.58 127.77 32.83 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 112.058 -2.337 . . . . 0.0 108.031 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.741 HD13 HD21 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -130.39 102.98 6.41 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.556 -1.656 . . . . 0.0 109.57 -177.665 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -91.35 -175.75 4.34 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 112.445 -2.162 . . . . 0.0 109.568 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 76.22 155.24 0.16 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.97 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.3 t -95.92 71.84 2.97 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 112.81 -1.996 . . . . 0.0 110.47 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.9 113.57 0.25 Allowed 'General case' 0 C--N 1.346 0.452 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.079 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.741 HD21 HD13 ' A' ' 154' ' ' LEU . 8.2 tp -168.09 -141.84 0.04 OUTLIER 'General case' 0 C--N 1.35 0.587 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.074 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.74 152.63 30.12 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 118.374 -1.33 . . . . 0.0 109.843 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 166' ' ' ILE . 40.6 mt-10 -129.45 134.05 47.62 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 112.583 -2.099 . . . . 0.0 109.329 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -172.3 167.35 5.8 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.26 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 62.55 31.65 16.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 112.053 -2.339 . . . . 0.0 112.142 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.8 -2.87 66.56 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 113.5 -1.682 . . . . 0.0 112.765 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -135.0 -142.1 0.18 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.609 -1.295 . . . . 0.0 108.654 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 161' ' ' GLU . 18.2 pt -146.17 130.2 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.305 -1.316 . . . . 0.0 108.254 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -110.03 163.74 13.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.698 -2.046 . . . . 0.0 109.677 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' CYS . . . . . 0.524 ' HB2' HD22 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -101.0 142.24 32.75 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 113.639 -1.619 . . . . 0.0 110.513 -179.435 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.639 ' H ' HD11 ' A' ' 159' ' ' LEU . 39.3 pttt -68.87 -18.67 64.17 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.091 -1.868 . . . . 0.0 109.466 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . -62.48 -26.38 68.11 Favored Glycine 0 C--N 1.359 1.823 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.849 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.586 ' SG ' ' CD ' ' A' ' 149' ' ' LYS . 1.3 m -72.11 -51.13 22.88 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 113.463 -1.368 . . . . 0.0 109.77 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -70.7 -4.27 22.76 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 112.411 -2.177 . . . . 0.0 110.142 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -88.58 -27.59 21.27 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.186 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -71.02 -60.42 2.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.286 -1.779 . . . . 0.0 110.236 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 25.6 m120 . . . . . 0 C--N 1.351 0.668 0 CA-C-N 112.912 -1.949 . . . . 0.0 110.251 -179.672 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.851 0.834 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -162.78 171.92 16.02 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.985 -1.916 . . . . 0.0 108.868 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 126' ' ' SER . 49.7 pttt -123.36 125.36 44.87 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.708 -1.587 . . . . 0.0 110.238 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.32 104.67 1.92 Allowed 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.9 -1.954 . . . . 0.0 108.734 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 m -82.2 27.78 0.47 Allowed 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.862 -1.972 . . . . 0.0 111.713 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.31 -62.4 1.25 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 113.719 -1.582 . . . . 0.0 108.46 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 124' ' ' GLY . 9.1 p -80.99 -47.97 12.9 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.653 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.416 ' N ' ' SG ' ' A' ' 123' ' ' CYS . . . 118.33 30.08 1.8 Allowed Glycine 0 C--N 1.346 1.136 0 CA-C-N 112.066 -2.333 . . . . 0.0 111.647 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -124.02 136.66 54.43 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 113.326 -1.437 . . . . 0.0 109.808 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 119' ' ' LYS . 72.7 m -75.52 141.64 42.98 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 112.893 -1.958 . . . . 0.0 108.853 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.43 HG22 ' N ' ' A' ' 128' ' ' TYR . 12.5 p -152.95 160.8 2.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.731 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.43 ' N ' HG22 ' A' ' 127' ' ' VAL . 48.1 p90 -160.17 -25.35 0.06 Allowed 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.547 -2.115 . . . . 0.0 110.122 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' A' ' 128' ' ' TYR . . . -163.23 88.85 0.6 Allowed 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.367 -1.742 . . . . 0.0 109.718 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -160.87 -115.22 0.02 OUTLIER 'General case' 0 C--N 1.347 0.48 0 CA-C-N 112.94 -1.937 . . . . 0.0 109.209 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -90.65 7.65 38.3 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.696 -1.593 . . . . 0.0 109.945 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.15 156.76 30.66 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.207 -1.815 . . . . 0.0 110.614 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 23.9 m -136.14 151.55 29.02 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 CA-C-N 112.495 -2.139 . . . . 0.0 109.383 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 54.4 mt -94.18 114.01 29.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 CA-C-N 113.006 -1.906 . . . . 0.0 109.392 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -92.42 53.26 2.76 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-N 112.757 -2.02 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 55.91 21.82 5.21 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 112.478 -1.861 . . . . 0.0 111.748 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 159.61 -50.4 0.39 Allowed Glycine 0 C--N 1.351 1.376 0 C-N-CA 117.886 -2.102 . . . . 0.0 112.645 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 140' ' ' TRP . 38.1 mmtm -97.77 142.52 24.69 Favored Pre-proline 0 C--N 1.352 0.682 0 C-N-CA 118.38 -1.328 . . . . 0.0 111.21 -178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -80.95 132.01 8.28 Favored 'Trans proline' 0 C--N 1.364 1.372 0 C-N-CA 122.59 2.193 . . . . 0.0 111.143 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 138' ' ' LYS . 9.3 m95 -138.58 -162.85 1.37 Allowed 'General case' 0 C--N 1.352 0.674 0 CA-C-N 114.031 -1.441 . . . . 0.0 109.8 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.565 ' HB2' ' SG ' ' A' ' 144' ' ' CYS . 2.3 m170 -130.02 169.94 14.62 Favored 'General case' 0 C--N 1.349 0.545 0 CA-C-N 111.92 -2.4 . . . . 0.0 107.511 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -87.68 55.57 3.55 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.936 -1.483 . . . . 0.0 109.152 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 173.12 -27.64 0.0 OUTLIER 'General case' 0 C--N 1.355 0.824 0 CA-C-N 112.38 -2.191 . . . . 0.0 109.864 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 141' ' ' HIS . 82.8 m -84.94 27.34 0.77 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.955 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.559 ' CD2' HD23 ' A' ' 159' ' ' LEU . 14.0 m-85 -69.79 120.9 16.23 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 113.354 -1.748 . . . . 0.0 110.604 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -121.2 117.31 26.78 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.432 -2.167 . . . . 0.0 108.091 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . 0.474 ' SG ' ' HG3' ' A' ' 149' ' ' LYS . 8.5 t -57.75 136.99 56.98 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.216 -1.811 . . . . 0.0 112.138 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.15 -17.77 59.42 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 112.702 -2.045 . . . . 0.0 112.04 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.586 ' CD ' ' SG ' ' A' ' 171' ' ' CYS . 11.1 ptpt -108.82 -59.07 1.93 Allowed 'General case' 0 C--N 1.36 1.029 0 C-N-CA 118.102 -1.439 . . . . 0.0 113.046 -178.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.413 ' H ' ' HG3' ' A' ' 149' ' ' LYS . 14.3 p -85.99 -6.35 59.06 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 117.584 -1.647 . . . . 0.0 111.716 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 56.66 5.66 1.34 Allowed Glycine 0 C--N 1.357 1.724 0 CA-C-N 114.094 -1.412 . . . . 0.0 114.425 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 150' ' ' CYS . 57.2 mttp -61.56 156.17 20.35 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.324 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 43.7 p -80.58 127.77 32.83 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 112.058 -2.337 . . . . 0.0 108.031 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.741 HD13 HD21 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -130.39 102.98 6.41 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.556 -1.656 . . . . 0.0 109.57 -177.665 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -91.35 -175.75 4.34 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 112.445 -2.162 . . . . 0.0 109.568 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 76.22 155.24 0.16 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.97 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.3 t -95.92 71.84 2.97 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 112.81 -1.996 . . . . 0.0 110.47 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.9 113.57 0.25 Allowed 'General case' 0 C--N 1.346 0.452 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.079 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.741 HD21 HD13 ' A' ' 154' ' ' LEU . 8.2 tp -168.09 -141.84 0.04 OUTLIER 'General case' 0 C--N 1.35 0.587 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.074 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.74 152.63 30.12 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 118.374 -1.33 . . . . 0.0 109.843 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 166' ' ' ILE . 40.6 mt-10 -129.45 134.05 47.62 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 112.583 -2.099 . . . . 0.0 109.329 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -172.3 167.35 5.8 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.802 -1.544 . . . . 0.0 111.26 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 62.55 31.65 16.84 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 112.053 -2.339 . . . . 0.0 112.142 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.8 -2.87 66.56 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 113.5 -1.682 . . . . 0.0 112.765 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -135.0 -142.1 0.18 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.609 -1.295 . . . . 0.0 108.654 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 161' ' ' GLU . 18.2 pt -146.17 130.2 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.305 -1.316 . . . . 0.0 108.254 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -110.03 163.74 13.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 112.698 -2.046 . . . . 0.0 109.677 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . 0.524 ' HB2' HD22 ' A' ' 154' ' ' LEU . 0.5 OUTLIER -101.0 142.24 32.75 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 113.639 -1.619 . . . . 0.0 110.513 -179.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.639 ' H ' HD11 ' A' ' 159' ' ' LEU . 39.3 pttt -68.87 -18.67 64.17 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.091 -1.868 . . . . 0.0 109.466 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . -62.48 -26.38 68.11 Favored Glycine 0 C--N 1.359 1.823 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.849 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.586 ' SG ' ' CD ' ' A' ' 149' ' ' LYS . 1.3 m -72.11 -51.13 22.88 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 113.463 -1.368 . . . . 0.0 109.77 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -70.7 -4.27 22.76 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 112.411 -2.177 . . . . 0.0 110.142 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -88.58 -27.59 21.27 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 113.25 -1.796 . . . . 0.0 110.186 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -71.02 -60.42 2.24 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.286 -1.779 . . . . 0.0 110.236 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 25.6 m120 . . . . . 0 C--N 1.351 0.668 0 CA-C-N 112.912 -1.949 . . . . 0.0 110.251 -179.672 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_