data_2d46_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 2d46 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -107.73 42.23 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.061 0.457 . . . . 0.0 110.692 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.51 ' C ' ' H ' ' A' ' 5' ' ' TYR . 27.0 p-80 -87.46 59.1 5.31 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.86 34.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.933 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.51 ' H ' ' C ' ' A' ' 3' ' ' HIS . 4.6 m-30 -59.2 -24.04 62.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.24 0.543 . . . . 0.0 110.076 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.531 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . 8.2 p-10 -57.1 -30.72 64.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.724 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -59.84 -33.86 72.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.145 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.646 ' HG ' ' HB2' ' A' ' 24' ' ' TYR . 14.2 tp -59.22 -27.43 65.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.094 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 6' ' ' ASP . 1.5 m-85 -58.54 -12.54 4.12 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.899 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 13' ' ' ILE . 30.4 tp -21.22 90.94 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.57 -41.74 72.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.755 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.508 ' HA2' ' NH2' ' A' ' 27' ' ' ARG . . . -163.59 66.2 0.23 Allowed Glycine 0 C--N 1.34 0.801 0 C-N-CA 119.669 -1.253 . . . . 0.0 115.055 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.86 ' HB ' HD13 ' A' ' 52' ' ' ILE . 4.3 mp -159.73 72.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' OE1' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -66.3 147.84 52.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.338 0.59 . . . . 0.0 111.908 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.657 ' O ' ' OG ' ' A' ' 16' ' ' SER . 9.2 t0 -169.78 64.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.842 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.657 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 61.7 p 66.25 -106.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.775 0.798 . . . . 0.0 112.973 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.71 ' HG3' ' HA ' ' A' ' 38' ' ' ASP . 21.2 mm-40 -72.74 150.67 42.65 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.066 -177.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.545 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -83.9 -77.07 0.27 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.188 0.518 . . . . 0.0 112.052 -178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.686 ' HA2' HH21 ' A' ' 46' ' ' ARG . . . -161.02 -107.45 0.22 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.868 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.578 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . 66.6 p -167.01 149.19 6.13 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.341 0.591 . . . . 0.0 110.493 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.784 ' H ' ' HA ' ' A' ' 34' ' ' SER . . . 5.89 67.92 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.859 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.704 ' O ' ' HA ' ' A' ' 32' ' ' ASP . 53.9 t0 -143.99 144.47 31.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.833 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . 86.9 p -87.22 76.85 9.13 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.646 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 91.4 m-85 -160.83 135.44 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.531 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.604 HG22 ' HD2' ' A' ' 28' ' ' PRO . 76.3 m -92.95 160.26 14.97 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 25' ' ' THR . 44.8 t -61.0 -35.3 76.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 13.6 tpp180 -161.85 -46.73 0.0 OUTLIER Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HD2' HG22 ' A' ' 25' ' ' THR . 12.9 Cg_exo -71.37 -17.16 30.89 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.477 2.118 . . . . 0.0 115.492 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.48 ' C ' ' HB ' ' A' ' 25' ' ' THR . 26.1 t -168.28 -131.06 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 116.452 2.019 . . . . 0.0 116.452 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.476 ' HA ' ' H ' ' A' ' 25' ' ' THR . 55.9 m-20 -150.69 124.86 9.38 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.779 1.632 . . . . 0.0 108.851 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.471 ' C ' ' HA ' ' A' ' 23' ' ' SER . 43.4 t -151.62 130.98 12.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.455 -0.153 . . . . 0.0 110.952 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.833 ' HB3' ' HB3' ' A' ' 23' ' ' SER . 36.8 p-10 -97.2 113.09 24.65 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 34' ' ' SER . 7.3 p -162.27 149.33 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.784 ' HA ' ' H ' ' A' ' 21' ' ' ALA . 90.4 p -63.86 69.17 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.971 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.435 HD23 HG11 ' A' ' 33' ' ' VAL . 95.9 mt -76.57 11.18 1.73 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.578 ' HB3' ' CB ' ' A' ' 20' ' ' SER . 22.4 pt-20 -63.26 -9.08 10.04 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.375 0.607 . . . . 0.0 110.412 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -66.48 15.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.665 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.71 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 3.7 t0 -51.05 131.01 26.91 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.333 0.587 . . . . 0.0 112.044 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' HB3' ' A' ' 43' ' ' ARG . 89.5 mtm180 -56.47 130.48 45.08 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.331 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.553 ' HA ' ' HD3' ' A' ' 43' ' ' ARG . 50.9 mt-10 -61.14 -20.47 62.71 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.533 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.94 -67.27 0.48 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.004 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.6 HD11 ' OG ' ' A' ' 16' ' ' SER . 2.0 pp -85.89 10.77 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.581 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 36.9 ptt180 -68.96 -28.24 66.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.555 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -55.38 -45.92 76.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.435 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 95.0 mt-10 -65.07 -42.27 94.31 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.13 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.686 HH21 ' HA2' ' A' ' 19' ' ' GLY . 23.7 tpt85 -56.41 -38.07 71.04 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.112 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.577 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 46.2 mt-10 -58.15 -36.16 72.58 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.961 0.41 . . . . 0.0 110.019 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.473 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 53.3 tt0 -58.19 -30.34 66.37 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.666 ' HA ' HD12 ' A' ' 52' ' ' ILE . 35.3 mt-30 -57.19 -35.88 70.15 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 47' ' ' GLU . . . -51.62 -37.55 50.63 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 48' ' ' GLN . . . -57.7 -34.63 69.65 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.737 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.86 HD13 ' HB ' ' A' ' 13' ' ' ILE . 35.5 mt -50.64 -34.22 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.327 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' ' 50' ' ' ALA . 72.8 mt-30 -50.59 -40.48 52.59 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.328 0.585 . . . . 0.0 109.718 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 51' ' ' ALA . 6.0 mp -60.65 -42.55 97.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.83 -41.85 98.31 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.724 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.507 HH11 ' HA ' ' A' ' 56' ' ' ARG . 2.8 mmt-85 -64.02 -34.67 78.53 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.69 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.15 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.029 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -63.3 -13.57 40.05 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.345 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.424 ' O ' ' CD ' ' A' ' 61' ' ' PRO . 40.2 t -66.28 133.26 50.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.686 0.279 . . . . 0.0 110.906 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -103.83 66.16 0.1 Allowed Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.688 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.424 ' CD ' ' O ' ' A' ' 59' ' ' SER . 30.2 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.161 1.908 . . . . 0.0 112.266 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -107.73 42.23 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.061 0.457 . . . . 0.0 110.692 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.493 ' C ' ' H ' ' A' ' 5' ' ' TYR . 27.0 p-80 -87.46 59.1 5.31 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.437 ' HB2' HD22 ' A' ' 7' ' ' ASN . 0.0 OUTLIER -71.86 34.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.933 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.503 ' CE2' ' O ' ' A' ' 21' ' ' ALA . 4.6 m-30 -59.2 -24.04 62.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.24 0.543 . . . . 0.0 110.076 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.589 ' OD2' ' NE2' ' A' ' 53' ' ' GLN . 8.2 p-10 -57.1 -30.72 64.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.724 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.437 HD22 ' HB2' ' A' ' 4' ' ' MET . 28.8 m-20 -59.84 -33.86 72.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.145 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.844 ' CD1' ' HB1' ' A' ' 18' ' ' ALA . 14.2 tp -59.22 -27.43 65.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.094 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 6' ' ' ASP . 1.5 m-85 -58.54 -12.54 4.12 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.899 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 52' ' ' ILE . 30.4 tp -21.22 90.94 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.57 -41.74 72.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.755 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.848 ' C ' HD12 ' A' ' 13' ' ' ILE . . . -163.59 66.2 0.23 Allowed Glycine 0 C--N 1.34 0.801 0 C-N-CA 119.669 -1.253 . . . . 0.0 115.055 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.848 HD12 ' C ' ' A' ' 12' ' ' GLY . 4.3 mp -159.73 72.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -66.3 147.84 52.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.338 0.59 . . . . 0.0 111.908 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.639 ' O ' ' OG ' ' A' ' 16' ' ' SER . 9.2 t0 -169.78 64.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.842 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.639 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 61.7 p 66.25 -106.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.775 0.798 . . . . 0.0 112.973 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.718 ' HG3' ' HA ' ' A' ' 38' ' ' ASP . 21.2 mm-40 -72.74 150.67 42.65 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.066 -177.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.844 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -83.9 -77.07 0.27 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.188 0.518 . . . . 0.0 112.052 -178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.737 ' HA2' HH21 ' A' ' 46' ' ' ARG . . . -161.02 -107.45 0.22 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.868 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.594 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . 66.6 p -167.01 149.19 6.13 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.341 0.591 . . . . 0.0 110.493 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.87 ' H ' ' HA ' ' A' ' 34' ' ' SER . . . 5.89 67.92 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.859 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.752 ' HB3' HD22 ' A' ' 8' ' ' LEU . 53.9 t0 -143.99 144.47 31.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.877 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . 86.9 p -87.22 76.85 9.13 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.707 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 91.4 m-85 -160.83 135.44 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.531 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.546 HG22 ' HD2' ' A' ' 28' ' ' PRO . 76.3 m -92.95 160.26 14.97 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.516 ' N ' HG22 ' A' ' 25' ' ' THR . 44.8 t -61.0 -35.3 76.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' H ' ' CD ' ' A' ' 28' ' ' PRO . 13.6 tpp180 -161.85 -46.73 0.0 OUTLIER Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.559 ' CD ' ' H ' ' A' ' 27' ' ' ARG . 12.9 Cg_exo -71.37 -17.16 30.89 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.477 2.118 . . . . 0.0 115.492 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.491 ' C ' ' HB ' ' A' ' 25' ' ' THR . 26.1 t -168.28 -131.06 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 116.452 2.019 . . . . 0.0 116.452 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HA ' ' H ' ' A' ' 25' ' ' THR . 55.9 m-20 -150.69 124.86 9.38 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.779 1.632 . . . . 0.0 108.851 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.505 ' C ' ' HA ' ' A' ' 23' ' ' SER . 43.4 t -151.62 130.98 12.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.455 -0.153 . . . . 0.0 110.952 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.877 ' HB3' ' HB3' ' A' ' 23' ' ' SER . 36.8 p-10 -97.2 113.09 24.65 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.803 HG13 ' HG ' ' A' ' 35' ' ' LEU . 7.3 p -162.27 149.33 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.87 ' HA ' ' H ' ' A' ' 21' ' ' ALA . 90.4 p -63.86 69.17 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.971 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.803 ' HG ' HG13 ' A' ' 33' ' ' VAL . 95.9 mt -76.57 11.18 1.73 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.594 ' HB3' ' CB ' ' A' ' 20' ' ' SER . 22.4 pt-20 -63.26 -9.08 10.04 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.375 0.607 . . . . 0.0 110.412 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -66.48 15.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.665 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.718 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 3.7 t0 -51.05 131.01 26.91 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.333 0.587 . . . . 0.0 112.044 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 43' ' ' ARG . 89.5 mtm180 -56.47 130.48 45.08 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.331 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.571 ' HA ' ' HD3' ' A' ' 43' ' ' ARG . 50.9 mt-10 -61.14 -20.47 62.71 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.533 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.94 -67.27 0.48 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.004 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.607 HD13 ' OG ' ' A' ' 16' ' ' SER . 2.0 pp -85.89 10.77 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.598 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 36.9 ptt180 -68.96 -28.24 66.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.555 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -55.38 -45.92 76.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 95.0 mt-10 -65.07 -42.27 94.31 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.13 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.737 HH21 ' HA2' ' A' ' 19' ' ' GLY . 23.7 tpt85 -56.41 -38.07 71.04 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.112 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 46.2 mt-10 -58.15 -36.16 72.58 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.961 0.41 . . . . 0.0 110.019 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 53.3 tt0 -58.19 -30.34 66.37 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.618 ' CG ' ' HB3' ' A' ' 15' ' ' ASP . 35.3 mt-30 -57.19 -35.88 70.15 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 47' ' ' GLU . . . -51.62 -37.55 50.63 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 54' ' ' LEU . . . -57.7 -34.63 69.65 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.737 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.985 HD13 HD13 ' A' ' 10' ' ' LEU . 35.5 mt -50.64 -34.22 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.327 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.589 ' NE2' ' OD2' ' A' ' 6' ' ' ASP . 35.6 mt-30 -50.59 -40.48 52.59 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.328 0.585 . . . . 0.0 109.718 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 54' ' ' LEU . 6.0 mp -60.65 -42.55 97.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.83 -41.85 98.31 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.724 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.522 ' HA ' HH11 ' A' ' 56' ' ' ARG . 2.8 mmt-85 -64.02 -34.67 78.53 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.69 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.15 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.029 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -63.3 -13.57 40.05 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.345 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.451 ' O ' ' HD2' ' A' ' 61' ' ' PRO . 40.2 t -66.28 133.26 50.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.686 0.279 . . . . 0.0 110.906 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -103.83 66.16 0.1 Allowed Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.688 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.451 ' HD2' ' O ' ' A' ' 59' ' ' SER . 30.2 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.161 1.908 . . . . 0.0 112.266 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -107.73 42.23 1.38 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.061 0.457 . . . . 0.0 110.692 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.493 ' C ' ' H ' ' A' ' 5' ' ' TYR . 27.0 p-80 -87.46 59.1 5.31 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.437 ' HB2' HD22 ' A' ' 7' ' ' ASN . 0.0 OUTLIER -71.86 34.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.933 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.503 ' CE2' ' O ' ' A' ' 21' ' ' ALA . 4.6 m-30 -59.2 -24.04 62.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.24 0.543 . . . . 0.0 110.076 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.547 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . 8.2 p-10 -57.1 -30.72 64.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.724 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.437 HD22 ' HB2' ' A' ' 4' ' ' MET . 28.8 m-20 -59.84 -33.86 72.34 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.145 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.844 ' CD1' ' HB1' ' A' ' 18' ' ' ALA . 14.2 tp -59.22 -27.43 65.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.094 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 6' ' ' ASP . 1.5 m-85 -58.54 -12.54 4.12 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.899 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.985 HD13 HD13 ' A' ' 52' ' ' ILE . 30.4 tp -21.22 90.94 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -70.57 -41.74 72.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.755 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.848 ' C ' HD12 ' A' ' 13' ' ' ILE . . . -163.59 66.2 0.23 Allowed Glycine 0 C--N 1.34 0.801 0 C-N-CA 119.669 -1.253 . . . . 0.0 115.055 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.848 HD12 ' C ' ' A' ' 12' ' ' GLY . 4.3 mp -159.73 72.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -66.3 147.84 52.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.338 0.59 . . . . 0.0 111.908 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.639 ' O ' ' OG ' ' A' ' 16' ' ' SER . 9.2 t0 -169.78 64.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.842 -178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.639 ' OG ' ' O ' ' A' ' 15' ' ' ASP . 61.7 p 66.25 -106.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.775 0.798 . . . . 0.0 112.973 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.718 ' HG3' ' HA ' ' A' ' 38' ' ' ASP . 21.2 mm-40 -72.74 150.67 42.65 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.066 -177.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.844 ' HB1' ' CD1' ' A' ' 8' ' ' LEU . . . -83.9 -77.07 0.27 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.188 0.518 . . . . 0.0 112.052 -178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.737 ' HA2' HH21 ' A' ' 46' ' ' ARG . . . -161.02 -107.45 0.22 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.868 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.594 ' CB ' ' HB3' ' A' ' 36' ' ' GLU . 66.6 p -167.01 149.19 6.13 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-O 121.341 0.591 . . . . 0.0 110.493 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.87 ' H ' ' HA ' ' A' ' 34' ' ' SER . . . 5.89 67.92 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.859 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.752 ' HB3' HD22 ' A' ' 8' ' ' LEU . 53.9 t0 -143.99 144.47 31.68 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.877 ' HB3' ' HB3' ' A' ' 32' ' ' ASP . 86.9 p -87.22 76.85 9.13 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.707 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 91.4 m-85 -160.83 135.44 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.531 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.546 HG22 ' HD2' ' A' ' 28' ' ' PRO . 76.3 m -92.95 160.26 14.97 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.516 ' N ' HG22 ' A' ' 25' ' ' THR . 44.8 t -61.0 -35.3 76.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' H ' ' CD ' ' A' ' 28' ' ' PRO . 13.6 tpp180 -161.85 -46.73 0.0 OUTLIER Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.559 ' CD ' ' H ' ' A' ' 27' ' ' ARG . 12.9 Cg_exo -71.37 -17.16 30.89 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.477 2.118 . . . . 0.0 115.492 -177.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.491 ' C ' ' HB ' ' A' ' 25' ' ' THR . 26.1 t -168.28 -131.06 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 116.452 2.019 . . . . 0.0 116.452 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HA ' ' H ' ' A' ' 25' ' ' THR . 55.9 m-20 -150.69 124.86 9.38 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.779 1.632 . . . . 0.0 108.851 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.505 ' C ' ' HA ' ' A' ' 23' ' ' SER . 43.4 t -151.62 130.98 12.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.455 -0.153 . . . . 0.0 110.952 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.877 ' HB3' ' HB3' ' A' ' 23' ' ' SER . 36.8 p-10 -97.2 113.09 24.65 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.803 HG13 ' HG ' ' A' ' 35' ' ' LEU . 7.3 p -162.27 149.33 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.87 ' HA ' ' H ' ' A' ' 21' ' ' ALA . 90.4 p -63.86 69.17 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.971 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.803 ' HG ' HG13 ' A' ' 33' ' ' VAL . 95.9 mt -76.57 11.18 1.73 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.594 ' HB3' ' CB ' ' A' ' 20' ' ' SER . 22.4 pt-20 -63.26 -9.08 10.04 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.375 0.607 . . . . 0.0 110.412 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -66.48 15.95 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.665 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.718 ' HA ' ' HG3' ' A' ' 17' ' ' GLU . 3.7 t0 -51.05 131.01 26.91 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.333 0.587 . . . . 0.0 112.044 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 43' ' ' ARG . 89.5 mtm180 -56.47 130.48 45.08 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.331 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.571 ' HA ' ' HD3' ' A' ' 43' ' ' ARG . 50.9 mt-10 -61.14 -20.47 62.71 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.533 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.94 -67.27 0.48 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.004 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.607 HD13 ' OG ' ' A' ' 16' ' ' SER . 2.0 pp -85.89 10.77 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.598 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 36.9 ptt180 -68.96 -28.24 66.45 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.555 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -55.38 -45.92 76.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 95.0 mt-10 -65.07 -42.27 94.31 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.13 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.737 HH21 ' HA2' ' A' ' 19' ' ' GLY . 23.7 tpt85 -56.41 -38.07 71.04 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.112 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 46.2 mt-10 -58.15 -36.16 72.58 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.961 0.41 . . . . 0.0 110.019 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 45' ' ' GLU . 53.3 tt0 -58.19 -30.34 66.37 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.618 ' CG ' ' HB3' ' A' ' 15' ' ' ASP . 35.3 mt-30 -57.19 -35.88 70.15 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HA ' HE21 ' A' ' 53' ' ' GLN . . . -51.62 -37.55 50.63 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 54' ' ' LEU . . . -57.7 -34.63 69.65 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.737 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.985 HD13 HD13 ' A' ' 10' ' ' LEU . 35.5 mt -50.64 -34.22 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.327 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.539 HE21 ' HA ' ' A' ' 50' ' ' ALA . 72.8 mt-30 -50.59 -40.48 52.59 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.328 0.585 . . . . 0.0 109.718 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 54' ' ' LEU . 6.0 mp -60.65 -42.55 97.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.83 -41.85 98.31 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.724 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.522 HH11 ' HA ' ' A' ' 56' ' ' ARG . 2.8 mmt-85 -64.02 -34.67 78.53 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.69 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.97 -30.15 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.029 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -63.3 -13.57 40.05 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.345 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.451 ' O ' ' HD2' ' A' ' 61' ' ' PRO . 40.2 t -66.28 133.26 50.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.686 0.279 . . . . 0.0 110.906 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -103.83 66.16 0.1 Allowed Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.688 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.451 ' HD2' ' O ' ' A' ' 59' ' ' SER . 30.2 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.161 1.908 . . . . 0.0 112.266 179.949 . . . . . . . . 1 1 . 1 stop_ save_