data_1aqa_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 1aqa _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 ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 tttt . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -91.41 155.48 18.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -143.73 152.19 40.97 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -99.93 153.81 18.87 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.137 0.975 . . . . 0.0 108.983 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tp -47.33 -35.37 7.97 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.944 0.898 . . . . 0.0 112.439 175.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -54.15 -61.83 2.05 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.772 0.429 . . . . 0.0 110.73 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.91 -44.36 97.26 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -175.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.3 mm -50.34 -62.09 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.457 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -50.85 -41.99 58.33 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.885 1.674 . . . . 0.0 112.636 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -55.99 -47.38 77.81 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.779 0.718 . . . . 0.0 110.03 174.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -80.86 64.55 5.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.794 0.838 . . . . 0.0 109.94 -170.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -83.25 -56.49 3.74 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.94 146.33 7.75 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.021 -161.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 t 78.79 94.89 0.06 Allowed 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.575 1.95 . . . . 0.0 107.172 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.97 -8.53 1.67 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.174 0.99 . . . . 0.0 113.286 168.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 m -157.61 100.21 1.77 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 126.063 1.745 . . . . 0.0 107.267 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 m -136.74 82.61 1.95 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.06 -2.2 . . . . 0.0 105.06 -169.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -101.51 158.98 15.67 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -171.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.8 m -140.67 138.13 35.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.7 mt -91.34 99.08 9.15 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.8 mt -107.89 107.31 17.97 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 123.594 0.758 . . . . 0.0 111.662 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.7 t60 56.88 49.32 14.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.611 1.565 . . . . 0.0 109.599 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.3 m80 52.22 63.06 2.39 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.615 -174.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -167.39 121.91 1.02 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.82 1.248 . . . . 0.0 108.956 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 t -85.89 121.18 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.55 134.19 53.3 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 102.526 -3.138 . . . . 0.0 102.526 164.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.39 143.64 50.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 152.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.94 33.49 1.96 Allowed 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.129 0.49 . . . . 0.0 111.799 167.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.8 t -64.93 57.3 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.557 1.543 . . . . 0.0 114.001 170.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.23 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 125.409 1.484 . . . . 0.0 107.13 174.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -55.38 -24.87 32.12 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.114 1.766 . . . . 0.0 112.344 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.6 mt -34.37 -49.72 0.4 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.931 1.292 . . . . 0.0 113.06 163.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -74.05 -22.13 59.67 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.646 1.178 . . . . 0.0 111.786 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -100.33 -41.32 7.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.365 1.866 . . . . 0.0 111.396 -161.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -50.23 137.83 21.01 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 123.927 0.891 . . . . 0.0 110.921 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -61.48 -24.87 78.95 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.086 1.857 . . . . 0.0 113.473 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.81 8.34 76.54 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 119.728 -0.484 . . . . 0.0 113.35 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.44 -160.33 10.34 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 124.97 1.271 . . . . 0.0 113.203 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -68.09 -54.65 16.61 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.203 -0.998 . . . . 0.0 112.788 -169.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -29.04 -65.11 0.1 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.627 1.971 . . . . 0.0 113.204 -170.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 m -58.7 -37.98 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.865 0.866 . . . . 0.0 111.972 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.1 mt -69.32 -56.77 6.54 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -50.57 -52.04 42.74 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 124.796 1.238 . . . . 0.0 110.387 -172.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -64.29 -17.2 63.42 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -111.65 4.55 18.69 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.561 0.619 . . . . 0.0 110.527 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.97 151.59 31.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.191 0.52 . . . . 0.0 110.102 -174.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.44 43.28 20.19 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -161.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -145.39 169.75 26.9 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-O 121.921 0.734 . . . . 0.0 111.306 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -77.61 55.57 1.34 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 128.044 2.538 . . . . 0.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.3 -18.33 65.29 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 117.144 -1.407 . . . . 0.0 113.369 -171.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -17.53 -59.89 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.564 2.346 . . . . 0.0 111.081 169.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -75.44 -62.31 1.61 Allowed 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.26 -1.337 . . . . 0.0 110.107 -169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -64.19 -12.34 39.41 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -74.93 -71.87 0.33 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.817 1.247 . . . . 0.0 109.54 163.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . 0.334 20.2 pt-20 -79.08 -23.22 44.31 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 117.211 -1.796 . . . . 0.0 112.604 -161.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.72 -4.07 41.39 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.48 0.712 . . . . 0.0 112.29 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.9 7.26 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 120.166 -1.584 . . . . 0.0 111.093 -172.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.16 33.62 59.07 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.422 ' CE1' ' NC ' ' A' ' 95' A HEM . 2.8 m80 -65.12 138.31 58.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.608 0.704 . . . . 0.0 109.876 175.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.8 m -69.15 146.12 52.75 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 168.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 m -44.45 -38.52 4.13 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.687 1.195 . . . . 0.0 112.248 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.69 -52.33 6.55 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.175 2.19 . . . . 0.0 111.384 174.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.55 -24.95 67.77 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.72 1.208 . . . . 0.0 111.184 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -81.41 -41.67 21.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.476 0.71 . . . . 0.0 110.684 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.98 -45.1 78.71 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.373 -0.83 . . . . 0.0 111.015 -169.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -25.38 63.34 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.907 174.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 p -59.18 -40.88 87.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -172.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 16.3 1.52 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -35.91 20.37 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.955 0.798 . . . . 0.0 110.379 171.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -80.25 -83.86 0.1 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.626 0.37 . . . . 0.0 111.207 -169.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.3 mt 55.32 97.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 126.702 2.001 . . . . 0.0 112.766 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.5 pt -91.14 -20.35 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 119.196 -0.431 . . . . 0.0 110.743 164.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.57 -175.92 40.89 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 119.223 0.92 . . . . 0.0 113.863 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -103.75 -84.57 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 126.363 1.865 . . . . 0.0 110.369 169.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 tp 169.17 162.0 0.05 Allowed 'General case' 0 C--N 1.342 0.254 0 C-N-CA 128.423 2.689 . . . . 0.0 109.835 173.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -57.82 139.06 82.61 Favored Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 123.663 0.785 . . . . 0.0 110.56 171.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.81 62.85 5.76 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.227 2.618 . . . . 0.0 111.458 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -150.68 -53.14 0.14 Allowed 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.704 2.002 . . . . 0.0 106.376 164.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.0 -30.44 25.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.11 173.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -40.07 -25.38 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.632 1.973 . . . . 0.0 115.816 166.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.4 t -110.31 5.86 21.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.907 1.23 . . . . 0.0 113.504 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -84.42 -46.88 11.23 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.116 0.966 . . . . 0.0 108.548 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.1 mp -63.0 101.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 C-N-CA 125.288 1.435 . . . . 0.0 109.893 -173.092 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 95' A HEM . . . . . 0.422 ' NC ' ' CE1' ' A' ' 63' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 tttt . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -91.41 155.48 18.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -143.73 152.19 40.97 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -99.93 153.81 18.87 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.137 0.975 . . . . 0.0 108.983 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tp -47.33 -35.37 7.97 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.944 0.898 . . . . 0.0 112.439 175.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -54.15 -61.83 2.05 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.772 0.429 . . . . 0.0 110.73 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.91 -44.36 97.26 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -175.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.3 mm -50.34 -62.09 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.457 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -50.85 -41.99 58.33 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.885 1.674 . . . . 0.0 112.636 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -55.99 -47.38 77.81 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.779 0.718 . . . . 0.0 110.03 174.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -80.86 64.55 5.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.794 0.838 . . . . 0.0 109.94 -170.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 21' ' ' THR . 65.7 mttt -83.25 -56.49 3.74 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.94 146.33 7.75 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.021 -161.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 t 78.79 94.89 0.06 Allowed 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.575 1.95 . . . . 0.0 107.172 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.97 -8.53 1.67 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.174 0.99 . . . . 0.0 113.286 168.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 m -157.61 100.21 1.77 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 126.063 1.745 . . . . 0.0 107.267 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.681 HG21 HD11 ' A' ' 36' ' ' LEU . 19.9 m -136.74 82.61 1.95 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.06 -2.2 . . . . 0.0 105.06 -169.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -101.51 158.98 15.67 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -171.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.8 m -140.67 138.13 35.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.7 mt -91.34 99.08 9.15 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.8 mt -107.89 107.31 17.97 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 123.594 0.758 . . . . 0.0 111.662 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.7 t60 56.88 49.32 14.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.611 1.565 . . . . 0.0 109.599 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.3 m80 52.22 63.06 2.39 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.615 -174.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -167.39 121.91 1.02 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.82 1.248 . . . . 0.0 108.956 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 t -85.89 121.18 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.55 134.19 53.3 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 102.526 -3.138 . . . . 0.0 102.526 164.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.39 143.64 50.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 152.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.94 33.49 1.96 Allowed 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.129 0.49 . . . . 0.0 111.799 167.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.8 t -64.93 57.3 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.557 1.543 . . . . 0.0 114.001 170.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.23 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 125.409 1.484 . . . . 0.0 107.13 174.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -55.38 -24.87 32.12 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.114 1.766 . . . . 0.0 112.344 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.681 HD11 HG21 ' A' ' 21' ' ' THR . 39.6 mt -34.37 -49.72 0.4 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.931 1.292 . . . . 0.0 113.06 163.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -74.05 -22.13 59.67 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.646 1.178 . . . . 0.0 111.786 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -100.33 -41.32 7.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.365 1.866 . . . . 0.0 111.396 -161.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -50.23 137.83 21.01 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 123.927 0.891 . . . . 0.0 110.921 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -61.48 -24.87 78.95 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.086 1.857 . . . . 0.0 113.473 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.81 8.34 76.54 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 119.728 -0.484 . . . . 0.0 113.35 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.44 -160.33 10.34 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 124.97 1.271 . . . . 0.0 113.203 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -68.09 -54.65 16.61 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.203 -0.998 . . . . 0.0 112.788 -169.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -29.04 -65.11 0.1 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.627 1.971 . . . . 0.0 113.204 -170.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 m -58.7 -37.98 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.865 0.866 . . . . 0.0 111.972 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.423 HD23 ' C2C' ' A' ' 95' A HEM . 19.1 mt -69.32 -56.77 6.54 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -50.57 -52.04 42.74 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 124.796 1.238 . . . . 0.0 110.387 -172.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -64.29 -17.2 63.42 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -111.65 4.55 18.69 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.561 0.619 . . . . 0.0 110.527 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.97 151.59 31.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.191 0.52 . . . . 0.0 110.102 -174.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.44 43.28 20.19 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -161.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -145.39 169.75 26.9 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-O 121.921 0.734 . . . . 0.0 111.306 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -77.61 55.57 1.34 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 128.044 2.538 . . . . 0.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.3 -18.33 65.29 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 117.144 -1.407 . . . . 0.0 113.369 -171.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -17.53 -59.89 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.564 2.346 . . . . 0.0 111.081 169.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -75.44 -62.31 1.61 Allowed 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.26 -1.337 . . . . 0.0 110.107 -169.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -64.19 -12.34 39.41 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -74.93 -71.87 0.33 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.817 1.247 . . . . 0.0 109.54 163.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . 0.334 20.2 pt-20 -79.08 -23.22 44.31 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 117.211 -1.796 . . . . 0.0 112.604 -161.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.72 -4.07 41.39 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.48 0.712 . . . . 0.0 112.29 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.9 7.26 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 120.166 -1.584 . . . . 0.0 111.093 -172.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.16 33.62 59.07 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.422 ' CE1' ' NC ' ' A' ' 95' A HEM . 2.8 m80 -65.12 138.31 58.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.608 0.704 . . . . 0.0 109.876 175.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.8 m -69.15 146.12 52.75 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 168.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 m -44.45 -38.52 4.13 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.687 1.195 . . . . 0.0 112.248 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.69 -52.33 6.55 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.175 2.19 . . . . 0.0 111.384 174.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.55 -24.95 67.77 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.72 1.208 . . . . 0.0 111.184 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -81.41 -41.67 21.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.476 0.71 . . . . 0.0 110.684 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.98 -45.1 78.71 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.373 -0.83 . . . . 0.0 111.015 -169.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.9 -25.38 63.34 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.907 174.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.75 ' N ' HD13 ' A' ' 70' ' ' LEU . 1.2 p -59.18 -40.88 87.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -172.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 16.3 1.52 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -35.91 20.37 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.955 0.798 . . . . 0.0 110.379 171.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -80.25 -83.86 0.1 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.626 0.37 . . . . 0.0 111.207 -169.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.3 mt 55.32 97.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 126.702 2.001 . . . . 0.0 112.766 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.5 pt -91.14 -20.35 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 119.196 -0.431 . . . . 0.0 110.743 164.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.57 -175.92 40.89 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 119.223 0.92 . . . . 0.0 113.863 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -103.75 -84.57 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 126.363 1.865 . . . . 0.0 110.369 169.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 79' ' ' LEU . 2.8 tp 169.17 162.0 0.05 Allowed 'General case' 0 C--N 1.342 0.254 0 C-N-CA 128.423 2.689 . . . . 0.0 109.835 173.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -57.82 139.06 82.61 Favored Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 123.663 0.785 . . . . 0.0 110.56 171.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.81 62.85 5.76 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.227 2.618 . . . . 0.0 111.458 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -150.68 -53.14 0.14 Allowed 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.704 2.002 . . . . 0.0 106.376 164.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.0 -30.44 25.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.11 173.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -40.07 -25.38 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.632 1.973 . . . . 0.0 115.816 166.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.4 t -110.31 5.86 21.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.907 1.23 . . . . 0.0 113.504 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -84.42 -46.88 11.23 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.116 0.966 . . . . 0.0 108.548 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.54 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.1 mp -63.0 101.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 C-N-CA 125.288 1.435 . . . . 0.0 109.893 -173.092 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 95' A HEM . . . . . 0.486 HMD2 HBD2 ' A' ' 95' A HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 tttt . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -91.41 155.48 18.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -143.73 152.19 40.97 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -99.93 153.81 18.87 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.137 0.975 . . . . 0.0 108.983 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tp -47.33 -35.37 7.97 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.944 0.898 . . . . 0.0 112.439 175.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -54.15 -61.83 2.05 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.772 0.429 . . . . 0.0 110.73 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.91 -44.36 97.26 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -175.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.3 mm -50.34 -62.09 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.457 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -50.85 -41.99 58.33 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.885 1.674 . . . . 0.0 112.636 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -55.99 -47.38 77.81 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.779 0.718 . . . . 0.0 110.03 174.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -80.86 64.55 5.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.794 0.838 . . . . 0.0 109.94 -170.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 21' ' ' THR . 65.7 mttt -83.25 -56.49 3.74 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.94 146.33 7.75 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.021 -161.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 t 78.79 94.89 0.06 Allowed 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 126.575 1.95 . . . . 0.0 107.172 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.97 -8.53 1.67 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.174 0.99 . . . . 0.0 113.286 168.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 m -157.61 100.21 1.77 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 126.063 1.745 . . . . 0.0 107.267 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.681 HG21 HD11 ' A' ' 36' ' ' LEU . 19.9 m -136.74 82.61 1.95 Allowed 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 105.06 -2.2 . . . . 0.0 105.06 -169.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -101.51 158.98 15.67 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -171.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.8 m -140.67 138.13 35.54 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.7 mt -91.34 99.08 9.15 Favored 'Isoleucine or valine' 0 C--N 1.343 0.31 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.8 mt -107.89 107.31 17.97 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 123.594 0.758 . . . . 0.0 111.662 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.7 t60 56.88 49.32 14.31 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.611 1.565 . . . . 0.0 109.599 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.3 m80 52.22 63.06 2.39 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.615 -174.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -167.39 121.91 1.02 Allowed 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.82 1.248 . . . . 0.0 108.956 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 t -85.89 121.18 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 -178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -111.55 134.19 53.3 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 102.526 -3.138 . . . . 0.0 102.526 164.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.39 143.64 50.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 152.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.94 33.49 1.96 Allowed 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.129 0.49 . . . . 0.0 111.799 167.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.8 t -64.93 57.3 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.557 1.543 . . . . 0.0 114.001 170.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.23 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 125.409 1.484 . . . . 0.0 107.13 174.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -55.38 -24.87 32.12 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.114 1.766 . . . . 0.0 112.344 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.681 HD11 HG21 ' A' ' 21' ' ' THR . 39.6 mt -34.37 -49.72 0.4 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.931 1.292 . . . . 0.0 113.06 163.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -74.05 -22.13 59.67 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.646 1.178 . . . . 0.0 111.786 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -100.33 -41.32 7.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.365 1.866 . . . . 0.0 111.396 -161.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -50.23 137.83 21.01 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 123.927 0.891 . . . . 0.0 110.921 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -61.48 -24.87 78.95 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.086 1.857 . . . . 0.0 113.473 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.81 8.34 76.54 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 119.728 -0.484 . . . . 0.0 113.35 173.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.44 -160.33 10.34 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 124.97 1.271 . . . . 0.0 113.203 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -68.09 -54.65 16.61 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.203 -0.998 . . . . 0.0 112.788 -169.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -29.04 -65.11 0.1 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.627 1.971 . . . . 0.0 113.204 -170.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.3 m -58.7 -37.98 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.865 0.866 . . . . 0.0 111.972 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.423 HD23 ' C2C' ' A' ' 95' A HEM . 19.1 mt -69.32 -56.77 6.54 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -50.57 -52.04 42.74 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 124.796 1.238 . . . . 0.0 110.387 -172.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -64.29 -17.2 63.42 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -111.65 4.55 18.69 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.561 0.619 . . . . 0.0 110.527 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.97 151.59 31.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.191 0.52 . . . . 0.0 110.102 -174.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.44 43.28 20.19 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -161.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -145.39 169.75 26.9 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-O 121.921 0.734 . . . . 0.0 111.306 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -77.61 55.57 1.34 Allowed 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 128.044 2.538 . . . . 0.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.3 -18.33 65.29 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-O 117.144 -1.407 . . . . 0.0 113.369 -171.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.4 m -17.53 -59.89 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.564 2.346 . . . . 0.0 111.081 169.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -75.44 -62.31 1.61 Allowed 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.26 -1.337 . . . . 0.0 110.107 -169.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -64.19 -12.34 39.41 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -74.93 -71.87 0.33 Allowed 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.817 1.247 . . . . 0.0 109.54 163.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . 0.334 20.2 pt-20 -79.08 -23.22 44.31 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 117.211 -1.796 . . . . 0.0 112.604 -161.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.72 -4.07 41.39 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.48 0.712 . . . . 0.0 112.29 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.9 7.26 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 120.166 -1.584 . . . . 0.0 111.093 -172.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 73.16 33.62 59.07 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.422 ' CE1' ' NC ' ' A' ' 95' A HEM . 2.8 m80 -65.12 138.31 58.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.608 0.704 . . . . 0.0 109.876 175.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.8 m -69.15 146.12 52.75 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 168.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 m -44.45 -38.52 4.13 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.687 1.195 . . . . 0.0 112.248 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.69 -52.33 6.55 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.175 2.19 . . . . 0.0 111.384 174.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.55 -24.95 67.77 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.72 1.208 . . . . 0.0 111.184 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -81.41 -41.67 21.55 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.476 0.71 . . . . 0.0 110.684 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.98 -45.1 78.71 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.373 -0.83 . . . . 0.0 111.015 -169.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.75 HD13 ' N ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.9 -25.38 63.34 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.907 174.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.75 ' N ' HD13 ' A' ' 70' ' ' LEU . 1.2 p -59.18 -40.88 87.05 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -172.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 16.3 1.52 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.82 -35.91 20.37 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.955 0.798 . . . . 0.0 110.379 171.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -80.25 -83.86 0.1 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.626 0.37 . . . . 0.0 111.207 -169.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.3 mt 55.32 97.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 126.702 2.001 . . . . 0.0 112.766 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.5 pt -91.14 -20.35 6.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 119.196 -0.431 . . . . 0.0 110.743 164.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.57 -175.92 40.89 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 119.223 0.92 . . . . 0.0 113.863 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -103.75 -84.57 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 126.363 1.865 . . . . 0.0 110.369 169.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 79' ' ' LEU . 2.8 tp 169.17 162.0 0.05 Allowed 'General case' 0 C--N 1.342 0.254 0 C-N-CA 128.423 2.689 . . . . 0.0 109.835 173.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -57.82 139.06 82.61 Favored Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 123.663 0.785 . . . . 0.0 110.56 171.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -74.81 62.85 5.76 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.227 2.618 . . . . 0.0 111.458 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -150.68 -53.14 0.14 Allowed 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.704 2.002 . . . . 0.0 106.376 164.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.0 -30.44 25.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.11 173.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -40.07 -25.38 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.632 1.973 . . . . 0.0 115.816 166.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.4 t -110.31 5.86 21.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.907 1.23 . . . . 0.0 113.504 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -84.42 -46.88 11.23 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.116 0.966 . . . . 0.0 108.548 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.54 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.1 mp -63.0 101.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.221 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 C-N-CA 125.288 1.435 . . . . 0.0 109.893 -173.092 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 95' A HEM . . . . . 0.486 HMD2 HBD2 ' A' ' 95' A HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_