data_1i0u_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 1i0u _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.034 0 N-CA-C 110.531 -1.028 . . . . 30.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t -64.57 -172.4 0.08 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 123.897 0.41 . . . . 30.0 111.614 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -114.2 81.1 1.48 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.825 -1.176 . . . . 30.0 107.825 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 3.7 mp0 -65.51 -8.76 21.14 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 115.819 -0.628 . . . . 30.0 111.85 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.6 m -63.63 -40.73 97.62 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.102 0.953 . . . . 30.0 111.198 -179.507 -55.344 -71.107 91.888 104.309 2.018 105.551 137.455 54.354 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.9 mt -49.46 -47.64 48.2 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 112.329 -2.214 . . . . 30.0 111.423 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 8' ' ' ASN . 36.3 t0 -99.12 -160.09 0.78 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 104.765 -2.309 . . . . 30.0 104.765 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.535 ' H ' ' CG ' ' A' ' 7' ' ' ASP . 24.1 m120 -49.06 121.32 4.67 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 106.163 -1.792 . . . . 30.0 106.163 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.549 HD22 ' C ' ' A' ' 15' ' ' VAL . 5.2 t30 -41.75 87.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 125.039 1.462 . . . . 30.0 113.636 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.35 5.73 3.74 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 120.748 -0.739 . . . . 30.0 111.943 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 9' ' ' ASN . . . 138.4 -33.76 2.19 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.72 -1.352 . . . . 30.0 109.72 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 13' ' ' SER . 21.8 p -105.01 -129.77 0.27 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 124.01 0.477 . . . . 30.0 109.997 -179.847 68.705 -154.231 106.177 105.44 2.016 106.114 94.101 171.311 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.459 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 82.0 p -159.98 35.05 0.18 Allowed 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.089 0.947 . . . . 30.0 108.771 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -109.78 -104.48 0.37 Allowed 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 113.355 -1.748 . . . . 30.0 112.813 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.549 ' C ' HD22 ' A' ' 9' ' ' ASN . 98.3 t -115.95 108.08 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.484 0 CA-C-O 121.004 0.43 . . . . 30.0 111.542 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 18.5 p -77.75 82.61 4.14 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 105.158 -2.164 . . . . 30.0 105.158 179.841 54.354 137.455 91.888 105.551 2.018 104.309 -71.107 -55.344 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -94.0 92.65 7.45 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 105.618 -1.993 . . . . 30.0 105.618 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -52.36 86.55 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 108.86 -3.791 . . . . 30.0 115.824 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.6 171.11 9.45 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 113.416 -1.72 . . . . 30.0 107.179 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -72.01 -45.82 59.48 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 106.956 -1.498 . . . . 30.0 106.956 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.9 mt -146.38 114.5 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 107.105 -1.443 . . . . 30.0 107.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.02 52.89 1.99 Allowed Glycine 0 N--CA 1.487 2.092 0 O-C-N 123.544 0.528 . . . . 30.0 112.79 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -34.32 154.44 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 125.667 1.587 . . . . 30.0 114.493 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -109.3 161.78 14.94 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 117.796 2.517 . . . . 30.0 117.796 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 t -123.24 68.81 1.0 Allowed 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 109.877 -3.328 . . . . 30.0 106.388 179.703 171.311 94.101 106.177 106.114 2.016 105.44 -154.231 68.705 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.9 mt -74.93 -172.17 1.54 Allowed 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.91 -0.716 . . . . 30.0 109.96 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.4 m -92.63 131.19 34.59 Favored Pre-proline 0 N--CA 1.489 1.52 0 N-CA-C 114.776 1.398 . . . . 30.0 114.776 -179.808 -58.625 -57.981 -93.428 100.01 2.017 101.224 -95.565 -62.776 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.94 -58.5 0.31 Allowed 'Trans proline' 0 C--N 1.32 -0.968 0 C-N-CA 122.05 1.833 . . . . 30.0 111.273 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -79.43 -177.01 5.55 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 125.863 1.977 . . . . 30.0 110.786 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.12 -28.25 58.33 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 117.041 1.577 . . . . 30.0 117.041 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.636 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 4.3 m-30 -55.08 169.17 0.26 Allowed 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 115.681 1.734 . . . . 30.0 115.681 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -98.35 153.44 18.55 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 113.512 -1.676 . . . . 30.0 112.347 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD12 ' SG ' ' A' ' 39' ' ' CYS . 21.5 tp -84.75 88.88 7.41 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 101.692 -3.448 . . . . 30.0 101.692 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.74 -76.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 115.341 1.608 . . . . 30.0 115.341 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 38' ' ' ARG . . . -81.26 64.52 6.03 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 114.987 1.477 . . . . 30.0 114.987 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 65.01 -66.96 0.13 Allowed 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 112.327 -2.215 . . . . 30.0 116.258 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -119.87 -2.52 10.31 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 123.698 0.624 . . . . 30.0 110.2 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 59.8 ttm-85 -101.83 124.07 46.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 124.133 0.896 . . . . 30.0 109.016 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.477 ' SG ' HD12 ' A' ' 33' ' ' LEU . 71.9 m -95.22 139.6 31.31 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 113.845 -1.525 . . . . 30.0 114.429 -179.86 -62.776 -95.565 -93.428 101.224 2.017 100.01 -57.981 -58.625 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 36.2 tt0 -160.12 159.71 32.13 Favored 'General case' 0 N--CA 1.483 1.2 0 O-C-N 124.745 1.278 . . . . 30.0 110.036 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.636 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 27.6 t70 -104.99 170.0 8.11 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 112.849 -1.978 . . . . 30.0 111.249 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 tt -66.65 161.16 3.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 N-CA-C 106.022 -1.844 . . . . 30.0 106.022 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -104.53 115.69 30.78 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.211 -1.403 . . . . 30.0 107.211 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 13.4 mp0 -74.02 -28.83 61.63 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 114.187 -1.37 . . . . 30.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 56' ' ' VAL . 89.4 m -69.0 -68.07 0.43 Allowed 'General case' 0 C--N 1.311 -1.07 0 O-C-N 123.745 0.653 . . . . 30.0 112.115 -179.474 -66.822 -49.854 -67.17 100.885 2.017 100.926 -85.946 177.716 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -44.06 -43.18 6.65 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 112.846 -1.979 . . . . 30.0 111.079 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.66 135.25 56.5 Favored Pre-proline 0 C--N 1.308 -1.198 0 CA-C-N 114.426 -1.261 . . . . 30.0 107.887 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.55 85.26 0.74 Allowed 'Trans proline' 0 C--N 1.316 -1.143 0 C-N-CA 121.405 1.403 . . . . 30.0 110.595 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -140.77 -40.84 0.4 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 114.233 -1.349 . . . . 30.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.4 p -75.57 -102.3 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 O-C-N 124.174 0.921 . . . . 30.0 111.89 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 88.9 m -110.99 170.5 8.06 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.463 0.912 . . . . 30.0 113.463 -179.907 -66.878 96.167 89.197 108.03 2.022 99.382 -147.809 -72.52 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.7 t -47.05 -62.21 1.52 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.426 1.639 . . . . 30.0 115.426 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 69.3 mm-40 -111.79 -113.69 0.33 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.487 0.921 . . . . 30.0 113.487 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 65' ' ' GLN . 28.1 mt -56.23 157.12 5.03 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 119.766 3.247 . . . . 30.0 119.766 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.0 t -161.66 -173.69 3.87 Favored 'General case' 0 N--CA 1.492 1.647 1 CA-C-N 108.167 -4.106 . . . . 30.0 108.567 -179.425 177.716 -85.946 -67.17 100.926 2.017 100.885 -49.854 -66.822 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 6.4 p -157.21 98.81 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.35 -0.982 . . . . 30.0 108.35 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -85.53 161.45 19.34 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 113.457 -1.701 . . . . 30.0 114.448 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' N ' HD22 ' A' ' 58' ' ' LEU . 1.6 pt? -176.35 -152.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 111.906 -2.406 . . . . 30.0 108.015 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' A' ' 61' ' ' GLY . 39.1 tt0 -73.24 79.49 1.31 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 124.517 1.136 . . . . 30.0 114.032 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.17 -4.0 0.15 Allowed Glycine 0 N--CA 1.483 1.77 0 CA-C-N 112.973 -1.921 . . . . 30.0 112.339 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' A' ' 59' ' ' GLU . . . -85.77 4.0 86.4 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 124.258 0.622 . . . . 30.0 112.276 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -41.51 137.46 1.54 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 113.856 1.058 . . . . 30.0 113.856 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -135.24 156.82 48.32 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.86 -1.163 . . . . 30.0 107.86 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 66.7 m -83.55 165.78 18.78 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 114.529 -1.214 . . . . 30.0 111.109 179.532 -72.52 -147.809 89.197 99.382 2.022 108.03 96.167 -66.878 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.616 ' O ' ' SG ' ' A' ' 79' ' ' CYS . 24.7 mt-30 -149.37 -169.29 3.34 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.479 -2.415 . . . . 30.0 104.479 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 70' ' ' PHE . 77.8 m -138.63 153.13 48.6 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 123.373 0.421 . . . . 30.0 111.443 -178.882 -60.839 -6.713 -76.925 109.01 2.018 100.904 -102.294 -70.263 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -85.48 78.61 9.66 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 106.661 -1.607 . . . . 30.0 106.661 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 47.75 -79.0 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 116.173 1.916 . . . . 30.0 116.173 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.0 -23.49 61.66 Favored Glycine 0 N--CA 1.484 1.853 0 CA-C-N 115.29 -0.868 . . . . 30.0 112.512 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 80' ' ' LYS . 2.4 m-30 -74.98 156.16 36.58 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 120.044 -0.663 . . . . 30.0 110.043 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -133.64 174.37 10.51 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.142 -1.39 . . . . 30.0 113.716 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.5 tp -79.7 101.36 8.36 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 112.311 -2.222 . . . . 30.0 109.232 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.84 132.75 77.06 Favored Pre-proline 0 N--CA 1.497 1.882 0 CA-C-N 114.627 -1.17 . . . . 30.0 107.86 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 76' ' ' THR . 87.4 Cg_endo -75.84 166.93 27.25 Favored 'Trans proline' 0 C--N 1.316 -1.177 0 C-N-CA 121.844 1.696 . . . . 30.0 112.622 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.5 m80 62.92 2.16 0.96 Allowed 'General case' 0 N--CA 1.507 2.383 0 O-C-N 125.158 1.536 . . . . 30.0 112.107 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.432 ' H ' ' C ' ' A' ' 74' ' ' PRO . 63.9 p -140.05 -37.79 0.47 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 114.799 -1.091 . . . . 30.0 110.66 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 64.3 18.22 11.18 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 112.748 -2.024 . . . . 30.0 109.588 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.37 153.79 18.31 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.195 -1.366 . . . . 30.0 108.721 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.616 ' SG ' ' O ' ' A' ' 65' ' ' GLN . 90.0 m -91.28 142.23 27.94 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.916 1.821 . . . . 30.0 115.916 179.921 -70.263 -102.294 -76.925 100.904 2.018 109.01 -6.713 -60.839 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.537 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 21.6 ptmt -160.6 158.49 29.1 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 112.993 -1.912 . . . . 30.0 109.719 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . . . -45.08 121.41 2.82 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 123.791 0.682 . . . . 30.0 111.758 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 122.594 1.188 . . . . 30.0 112.65 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.034 0 N-CA-C 110.531 -1.028 . . . . 30.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t -64.57 -172.4 0.08 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 123.897 0.41 . . . . 30.0 111.614 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -114.2 81.1 1.48 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.825 -1.176 . . . . 30.0 107.825 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 3.7 mp0 -65.51 -8.76 21.14 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 115.819 -0.628 . . . . 30.0 111.85 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.6 m -63.63 -40.73 97.62 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.102 0.953 . . . . 30.0 111.198 -179.507 -55.344 -71.107 91.888 104.309 2.018 105.551 137.455 54.354 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.9 mt -49.46 -47.64 48.2 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 112.329 -2.214 . . . . 30.0 111.423 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 8' ' ' ASN . 36.3 t0 -99.12 -160.09 0.78 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 104.765 -2.309 . . . . 30.0 104.765 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.526 ' H ' ' CG ' ' A' ' 7' ' ' ASP . 24.1 m120 -49.06 121.32 4.67 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 106.163 -1.792 . . . . 30.0 106.163 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.6 HD21 ' C ' ' A' ' 15' ' ' VAL . 5.2 t30 -41.75 87.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 125.039 1.462 . . . . 30.0 113.636 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.35 5.73 3.74 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 120.748 -0.739 . . . . 30.0 111.943 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.4 -33.76 2.19 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.72 -1.352 . . . . 30.0 109.72 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 13' ' ' SER . 21.8 p -105.01 -129.77 0.27 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 124.01 0.477 . . . . 30.0 109.997 -179.847 68.705 -154.231 106.177 105.44 2.016 106.114 94.101 171.311 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.476 ' CA ' ' HB3' ' A' ' 9' ' ' ASN . 82.0 p -159.98 35.05 0.18 Allowed 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.089 0.947 . . . . 30.0 108.771 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -109.78 -104.48 0.37 Allowed 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 113.355 -1.748 . . . . 30.0 112.813 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.6 ' C ' HD21 ' A' ' 9' ' ' ASN . 98.3 t -115.95 108.08 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.484 0 CA-C-O 121.004 0.43 . . . . 30.0 111.542 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 18.5 p -77.75 82.61 4.14 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 105.158 -2.164 . . . . 30.0 105.158 179.841 54.354 137.455 91.888 105.551 2.018 104.309 -71.107 -55.344 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 18.1 t-20 -94.0 92.65 7.45 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 105.618 -1.993 . . . . 30.0 105.618 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -52.36 86.55 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 108.86 -3.791 . . . . 30.0 115.824 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' CB ' ' HA ' ' A' ' 23' ' ' TYR . 21.2 tp -69.6 171.11 9.45 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 113.416 -1.72 . . . . 30.0 107.179 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -72.01 -45.82 59.48 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 106.956 -1.498 . . . . 30.0 106.956 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.9 mt -146.38 114.5 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 107.105 -1.443 . . . . 30.0 107.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.02 52.89 1.99 Allowed Glycine 0 N--CA 1.487 2.092 0 O-C-N 123.544 0.528 . . . . 30.0 112.79 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 19' ' ' LEU . 34.0 m-85 -34.32 154.44 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 125.667 1.587 . . . . 30.0 114.493 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 35.0 mt-10 -109.3 161.78 14.94 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 117.796 2.517 . . . . 30.0 117.796 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 t -123.24 68.81 1.0 Allowed 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 109.877 -3.328 . . . . 30.0 106.388 179.703 171.311 94.101 106.177 106.114 2.016 105.44 -154.231 68.705 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.9 mt -74.93 -172.17 1.54 Allowed 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.91 -0.716 . . . . 30.0 109.96 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.4 m -92.63 131.19 34.59 Favored Pre-proline 0 N--CA 1.489 1.52 0 N-CA-C 114.776 1.398 . . . . 30.0 114.776 -179.808 -58.625 -57.981 -93.428 100.01 2.017 101.224 -95.565 -62.776 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.94 -58.5 0.31 Allowed 'Trans proline' 0 C--N 1.32 -0.968 0 C-N-CA 122.05 1.833 . . . . 30.0 111.273 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -79.43 -177.01 5.55 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 125.863 1.977 . . . . 30.0 110.786 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.12 -28.25 58.33 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 117.041 1.577 . . . . 30.0 117.041 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.681 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 4.3 m-30 -55.08 169.17 0.26 Allowed 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 115.681 1.734 . . . . 30.0 115.681 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -98.35 153.44 18.55 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 113.512 -1.676 . . . . 30.0 112.347 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.478 HD12 ' SG ' ' A' ' 39' ' ' CYS . 21.5 tp -84.75 88.88 7.41 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 101.692 -3.448 . . . . 30.0 101.692 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.74 -76.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 115.341 1.608 . . . . 30.0 115.341 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . . . -81.26 64.52 6.03 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 114.987 1.477 . . . . 30.0 114.987 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 65.01 -66.96 0.13 Allowed 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 112.327 -2.215 . . . . 30.0 116.258 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -119.87 -2.52 10.31 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 123.698 0.624 . . . . 30.0 110.2 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 59.8 ttm-85 -101.83 124.07 46.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 124.133 0.896 . . . . 30.0 109.016 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' HD12 ' A' ' 33' ' ' LEU . 71.9 m -95.22 139.6 31.31 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 113.845 -1.525 . . . . 30.0 114.429 -179.86 -62.776 -95.565 -93.428 101.224 2.017 100.01 -57.981 -58.625 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 36.2 tt0 -160.12 159.71 32.13 Favored 'General case' 0 N--CA 1.483 1.2 0 O-C-N 124.745 1.278 . . . . 30.0 110.036 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.681 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 27.6 t70 -104.99 170.0 8.11 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 112.849 -1.978 . . . . 30.0 111.249 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 tt -66.65 161.16 3.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 N-CA-C 106.022 -1.844 . . . . 30.0 106.022 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -104.53 115.69 30.78 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.211 -1.403 . . . . 30.0 107.211 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 13.4 mp0 -74.02 -28.83 61.63 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 114.187 -1.37 . . . . 30.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 56' ' ' VAL . 89.4 m -69.0 -68.07 0.43 Allowed 'General case' 0 C--N 1.311 -1.07 0 O-C-N 123.745 0.653 . . . . 30.0 112.115 -179.474 -66.822 -49.854 -67.17 100.885 2.017 100.926 -85.946 177.716 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -44.06 -43.18 6.65 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 112.846 -1.979 . . . . 30.0 111.079 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.66 135.25 56.5 Favored Pre-proline 0 C--N 1.308 -1.198 0 CA-C-N 114.426 -1.261 . . . . 30.0 107.887 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.55 85.26 0.74 Allowed 'Trans proline' 0 C--N 1.316 -1.143 0 C-N-CA 121.405 1.403 . . . . 30.0 110.595 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -140.77 -40.84 0.4 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 114.233 -1.349 . . . . 30.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.4 p -75.57 -102.3 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 O-C-N 124.174 0.921 . . . . 30.0 111.89 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 88.9 m -110.99 170.5 8.06 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.463 0.912 . . . . 30.0 113.463 -179.907 -66.878 96.167 89.197 108.03 2.022 99.382 -147.809 -72.52 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.7 t -47.05 -62.21 1.52 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.426 1.639 . . . . 30.0 115.426 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 69.3 mm-40 -111.79 -113.69 0.33 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.487 0.921 . . . . 30.0 113.487 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 65' ' ' GLN . 28.1 mt -56.23 157.12 5.03 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 119.766 3.247 . . . . 30.0 119.766 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.0 t -161.66 -173.69 3.87 Favored 'General case' 0 N--CA 1.492 1.647 1 CA-C-N 108.167 -4.106 . . . . 30.0 108.567 -179.425 177.716 -85.946 -67.17 100.926 2.017 100.885 -49.854 -66.822 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 6.4 p -157.21 98.81 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.35 -0.982 . . . . 30.0 108.35 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -85.53 161.45 19.34 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 113.457 -1.701 . . . . 30.0 114.448 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' N ' HD23 ' A' ' 58' ' ' LEU . 1.6 pt? -176.35 -152.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 111.906 -2.406 . . . . 30.0 108.015 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.548 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 39.1 tt0 -73.24 79.49 1.31 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 124.517 1.136 . . . . 30.0 114.032 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.17 -4.0 0.15 Allowed Glycine 0 N--CA 1.483 1.77 0 CA-C-N 112.973 -1.921 . . . . 30.0 112.339 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 59' ' ' GLU . . . -85.77 4.0 86.4 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 124.258 0.622 . . . . 30.0 112.276 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -41.51 137.46 1.54 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 113.856 1.058 . . . . 30.0 113.856 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -135.24 156.82 48.32 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.86 -1.163 . . . . 30.0 107.86 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 66.7 m -83.55 165.78 18.78 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 114.529 -1.214 . . . . 30.0 111.109 179.532 -72.52 -147.809 89.197 99.382 2.022 108.03 96.167 -66.878 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.616 ' O ' ' SG ' ' A' ' 79' ' ' CYS . 84.5 mt-30 -149.37 -169.29 3.34 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.479 -2.415 . . . . 30.0 104.479 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 70' ' ' PHE . 77.8 m -138.63 153.13 48.6 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 123.373 0.421 . . . . 30.0 111.443 -178.882 -60.839 -6.713 -76.925 109.01 2.018 100.904 -102.294 -70.263 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -85.48 78.61 9.66 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 106.661 -1.607 . . . . 30.0 106.661 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 47.75 -79.0 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 116.173 1.916 . . . . 30.0 116.173 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.0 -23.49 61.66 Favored Glycine 0 N--CA 1.484 1.853 0 CA-C-N 115.29 -0.868 . . . . 30.0 112.512 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.616 ' HB2' ' HB3' ' A' ' 66' ' ' CYS . 2.4 m-30 -74.98 156.16 36.58 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 120.044 -0.663 . . . . 30.0 110.043 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -133.64 174.37 10.51 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.142 -1.39 . . . . 30.0 113.716 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.5 tp -79.7 101.36 8.36 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 112.311 -2.222 . . . . 30.0 109.232 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.84 132.75 77.06 Favored Pre-proline 0 N--CA 1.497 1.882 0 CA-C-N 114.627 -1.17 . . . . 30.0 107.86 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 76' ' ' THR . 87.4 Cg_endo -75.84 166.93 27.25 Favored 'Trans proline' 0 C--N 1.316 -1.177 0 C-N-CA 121.844 1.696 . . . . 30.0 112.622 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.5 m80 62.92 2.16 0.96 Allowed 'General case' 0 N--CA 1.507 2.383 0 O-C-N 125.158 1.536 . . . . 30.0 112.107 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 74' ' ' PRO . 63.9 p -140.05 -37.79 0.47 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 114.799 -1.091 . . . . 30.0 110.66 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 64.3 18.22 11.18 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 112.748 -2.024 . . . . 30.0 109.588 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.37 153.79 18.31 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.195 -1.366 . . . . 30.0 108.721 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.616 ' SG ' ' O ' ' A' ' 65' ' ' GLN . 90.0 m -91.28 142.23 27.94 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.916 1.821 . . . . 30.0 115.916 179.921 -70.263 -102.294 -76.925 100.904 2.018 109.01 -6.713 -60.839 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 21.6 ptmt -160.6 158.49 29.1 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 112.993 -1.912 . . . . 30.0 109.719 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . . . -45.08 121.41 2.82 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 123.791 0.682 . . . . 30.0 111.758 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 122.594 1.188 . . . . 30.0 112.65 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.034 0 N-CA-C 110.531 -1.028 . . . . 30.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 t -64.57 -172.4 0.08 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 123.897 0.41 . . . . 30.0 111.614 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -114.2 81.1 1.48 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.825 -1.176 . . . . 30.0 107.825 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 3.7 mp0 -65.51 -8.76 21.14 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 115.819 -0.628 . . . . 30.0 111.85 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.6 m -63.63 -40.73 97.62 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 122.102 0.953 . . . . 30.0 111.198 -179.507 -55.344 -71.107 91.888 104.309 2.018 105.551 137.455 54.354 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 75.9 mt -49.46 -47.64 48.2 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 112.329 -2.214 . . . . 30.0 111.423 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 8' ' ' ASN . 36.3 t0 -99.12 -160.09 0.78 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 104.765 -2.309 . . . . 30.0 104.765 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.526 ' H ' ' CG ' ' A' ' 7' ' ' ASP . 24.1 m120 -49.06 121.32 4.67 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 106.163 -1.792 . . . . 30.0 106.163 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.6 HD21 ' C ' ' A' ' 15' ' ' VAL . 5.2 t30 -41.75 87.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 O-C-N 125.039 1.462 . . . . 30.0 113.636 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.35 5.73 3.74 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 120.748 -0.739 . . . . 30.0 111.943 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.4 -33.76 2.19 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.72 -1.352 . . . . 30.0 109.72 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 13' ' ' SER . 21.8 p -105.01 -129.77 0.27 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 124.01 0.477 . . . . 30.0 109.997 -179.847 68.705 -154.231 106.177 105.44 2.016 106.114 94.101 171.311 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.476 ' CA ' ' HB3' ' A' ' 9' ' ' ASN . 82.0 p -159.98 35.05 0.18 Allowed 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.089 0.947 . . . . 30.0 108.771 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -109.78 -104.48 0.37 Allowed 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 113.355 -1.748 . . . . 30.0 112.813 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.6 ' C ' HD21 ' A' ' 9' ' ' ASN . 98.3 t -115.95 108.08 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.484 0 CA-C-O 121.004 0.43 . . . . 30.0 111.542 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 18.5 p -77.75 82.61 4.14 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 105.158 -2.164 . . . . 30.0 105.158 179.841 54.354 137.455 91.888 105.551 2.018 104.309 -71.107 -55.344 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 24' ' ' GLU . 14.4 t30 -94.0 92.65 7.45 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 105.618 -1.993 . . . . 30.0 105.618 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -52.36 86.55 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 108.86 -3.791 . . . . 30.0 115.824 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' CB ' ' HA ' ' A' ' 23' ' ' TYR . 21.2 tp -69.6 171.11 9.45 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 113.416 -1.72 . . . . 30.0 107.179 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -72.01 -45.82 59.48 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 106.956 -1.498 . . . . 30.0 106.956 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.9 mt -146.38 114.5 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 107.105 -1.443 . . . . 30.0 107.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.02 52.89 1.99 Allowed Glycine 0 N--CA 1.487 2.092 0 O-C-N 123.544 0.528 . . . . 30.0 112.79 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 19' ' ' LEU . 34.0 m-85 -34.32 154.44 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 125.667 1.587 . . . . 30.0 114.493 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 35.0 mt-10 -109.3 161.78 14.94 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 117.796 2.517 . . . . 30.0 117.796 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.7 t -123.24 68.81 1.0 Allowed 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 109.877 -3.328 . . . . 30.0 106.388 179.703 171.311 94.101 106.177 106.114 2.016 105.44 -154.231 68.705 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.9 mt -74.93 -172.17 1.54 Allowed 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.91 -0.716 . . . . 30.0 109.96 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.4 m -92.63 131.19 34.59 Favored Pre-proline 0 N--CA 1.489 1.52 0 N-CA-C 114.776 1.398 . . . . 30.0 114.776 -179.808 -58.625 -57.981 -93.428 100.01 2.017 101.224 -95.565 -62.776 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -62.94 -58.5 0.31 Allowed 'Trans proline' 0 C--N 1.32 -0.968 0 C-N-CA 122.05 1.833 . . . . 30.0 111.273 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -79.43 -177.01 5.55 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 125.863 1.977 . . . . 30.0 110.786 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.12 -28.25 58.33 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 117.041 1.577 . . . . 30.0 117.041 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.681 ' CD1' ' HB2' ' A' ' 41' ' ' ASP . 4.3 m-30 -55.08 169.17 0.26 Allowed 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 115.681 1.734 . . . . 30.0 115.681 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -98.35 153.44 18.55 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 113.512 -1.676 . . . . 30.0 112.347 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.478 HD12 ' SG ' ' A' ' 39' ' ' CYS . 21.5 tp -84.75 88.88 7.41 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 101.692 -3.448 . . . . 30.0 101.692 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.74 -76.11 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 115.341 1.608 . . . . 30.0 115.341 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . . . -81.26 64.52 6.03 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 114.987 1.477 . . . . 30.0 114.987 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 65.01 -66.96 0.13 Allowed 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 112.327 -2.215 . . . . 30.0 116.258 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -119.87 -2.52 10.31 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 123.698 0.624 . . . . 30.0 110.2 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HB3' ' HB3' ' A' ' 35' ' ' ALA . 59.8 ttm-85 -101.83 124.07 46.84 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 124.133 0.896 . . . . 30.0 109.016 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' HD12 ' A' ' 33' ' ' LEU . 71.9 m -95.22 139.6 31.31 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 113.845 -1.525 . . . . 30.0 114.429 -179.86 -62.776 -95.565 -93.428 101.224 2.017 100.01 -57.981 -58.625 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' HG2' ' N ' ' A' ' 41' ' ' ASP . 36.2 tt0 -160.12 159.71 32.13 Favored 'General case' 0 N--CA 1.483 1.2 0 O-C-N 124.745 1.278 . . . . 30.0 110.036 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.681 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 27.6 t70 -104.99 170.0 8.11 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 112.849 -1.978 . . . . 30.0 111.249 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 tt -66.65 161.16 3.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 N-CA-C 106.022 -1.844 . . . . 30.0 106.022 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -104.53 115.69 30.78 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.211 -1.403 . . . . 30.0 107.211 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 13.4 mp0 -74.02 -28.83 61.63 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 114.187 -1.37 . . . . 30.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 56' ' ' VAL . 89.4 m -69.0 -68.07 0.43 Allowed 'General case' 0 C--N 1.311 -1.07 0 O-C-N 123.745 0.653 . . . . 30.0 112.115 -179.474 -66.822 -49.854 -67.17 100.885 2.017 100.926 -85.946 177.716 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -44.06 -43.18 6.65 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 112.846 -1.979 . . . . 30.0 111.079 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.66 135.25 56.5 Favored Pre-proline 0 C--N 1.308 -1.198 0 CA-C-N 114.426 -1.261 . . . . 30.0 107.887 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.55 85.26 0.74 Allowed 'Trans proline' 0 C--N 1.316 -1.143 0 C-N-CA 121.405 1.403 . . . . 30.0 110.595 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -140.77 -40.84 0.4 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 114.233 -1.349 . . . . 30.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.4 p -75.57 -102.3 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 O-C-N 124.174 0.921 . . . . 30.0 111.89 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 88.9 m -110.99 170.5 8.06 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 113.463 0.912 . . . . 30.0 113.463 -179.907 -66.878 96.167 89.197 108.03 2.022 99.382 -147.809 -72.52 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.7 t -47.05 -62.21 1.52 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.426 1.639 . . . . 30.0 115.426 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . 69.3 mm-40 -111.79 -113.69 0.33 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.487 0.921 . . . . 30.0 113.487 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 65' ' ' GLN . 28.1 mt -56.23 157.12 5.03 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 119.766 3.247 . . . . 30.0 119.766 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.0 t -161.66 -173.69 3.87 Favored 'General case' 0 N--CA 1.492 1.647 1 CA-C-N 108.167 -4.106 . . . . 30.0 108.567 -179.425 177.716 -85.946 -67.17 100.926 2.017 100.885 -49.854 -66.822 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.412 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 6.4 p -157.21 98.81 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.35 -0.982 . . . . 30.0 108.35 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -85.53 161.45 19.34 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 113.457 -1.701 . . . . 30.0 114.448 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' N ' HD23 ' A' ' 58' ' ' LEU . 1.6 pt? -176.35 -152.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-N 111.906 -2.406 . . . . 30.0 108.015 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.548 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 39.1 tt0 -73.24 79.49 1.31 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 124.517 1.136 . . . . 30.0 114.032 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.17 -4.0 0.15 Allowed Glycine 0 N--CA 1.483 1.77 0 CA-C-N 112.973 -1.921 . . . . 30.0 112.339 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 59' ' ' GLU . . . -85.77 4.0 86.4 Favored Glycine 0 N--CA 1.493 2.449 0 O-C-N 124.258 0.622 . . . . 30.0 112.276 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -41.51 137.46 1.54 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 113.856 1.058 . . . . 30.0 113.856 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -135.24 156.82 48.32 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.86 -1.163 . . . . 30.0 107.86 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 66.7 m -83.55 165.78 18.78 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 114.529 -1.214 . . . . 30.0 111.109 179.532 -72.52 -147.809 89.197 99.382 2.022 108.03 96.167 -66.878 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.616 ' O ' ' SG ' ' A' ' 79' ' ' CYS . 24.7 mt-30 -149.37 -169.29 3.34 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 104.479 -2.415 . . . . 30.0 104.479 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 70' ' ' PHE . 77.8 m -138.63 153.13 48.6 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 123.373 0.421 . . . . 30.0 111.443 -178.882 -60.839 -6.713 -76.925 109.01 2.018 100.904 -102.294 -70.263 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -85.48 78.61 9.66 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 106.661 -1.607 . . . . 30.0 106.661 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 47.75 -79.0 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 116.173 1.916 . . . . 30.0 116.173 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.0 -23.49 61.66 Favored Glycine 0 N--CA 1.484 1.853 0 CA-C-N 115.29 -0.868 . . . . 30.0 112.512 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.616 ' HB2' ' HB3' ' A' ' 66' ' ' CYS . 2.4 m-30 -74.98 156.16 36.58 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 120.044 -0.663 . . . . 30.0 110.043 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -133.64 174.37 10.51 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.142 -1.39 . . . . 30.0 113.716 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.5 tp -79.7 101.36 8.36 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 112.311 -2.222 . . . . 30.0 109.232 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.84 132.75 77.06 Favored Pre-proline 0 N--CA 1.497 1.882 0 CA-C-N 114.627 -1.17 . . . . 30.0 107.86 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 76' ' ' THR . 87.4 Cg_endo -75.84 166.93 27.25 Favored 'Trans proline' 0 C--N 1.316 -1.177 0 C-N-CA 121.844 1.696 . . . . 30.0 112.622 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.5 m80 62.92 2.16 0.96 Allowed 'General case' 0 N--CA 1.507 2.383 0 O-C-N 125.158 1.536 . . . . 30.0 112.107 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 74' ' ' PRO . 63.9 p -140.05 -37.79 0.47 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 114.799 -1.091 . . . . 30.0 110.66 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 64.3 18.22 11.18 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 112.748 -2.024 . . . . 30.0 109.588 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.37 153.79 18.31 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 114.195 -1.366 . . . . 30.0 108.721 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.616 ' SG ' ' O ' ' A' ' 65' ' ' GLN . 90.0 m -91.28 142.23 27.94 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.916 1.821 . . . . 30.0 115.916 179.921 -70.263 -102.294 -76.925 100.904 2.018 109.01 -6.713 -60.839 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 70' ' ' PHE . 21.6 ptmt -160.6 158.49 29.1 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 112.993 -1.912 . . . . 30.0 109.719 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' HA ' ' CD1' ' A' ' 70' ' ' PHE . . . -45.08 121.41 2.82 Favored 'General case' 0 N--CA 1.504 2.265 0 O-C-N 123.791 0.682 . . . . 30.0 111.758 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.499 1.996 0 CA-C-O 122.594 1.188 . . . . 30.0 112.65 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_