data_1g10_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 1g10 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.95 116.28 28.25 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 124.268 0.98 . . . . 0.0 110.435 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -76.52 128.7 35.28 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.471 1.107 . . . . 0.0 109.41 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -146.79 143.45 28.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.388 1.055 . . . . 0.0 109.445 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.19 156.04 44.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.79 149.84 20.35 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.647 1.217 . . . . 0.0 110.28 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -179.78 63.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -115.37 161.85 17.96 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.509 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 2.7 t-160 85.8 164.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.356 1.035 . . . . 0.0 109.647 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -40.41 131.52 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.215 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 53' ' ' GLU . 6.6 m-20 -149.47 -69.69 0.2 Allowed 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.12 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -177.25 145.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -110.29 151.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.678 1.236 . . . . 0.0 109.206 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.469 ' CA ' ' HB3' ' A' ' 84' ' ' ALA . . . -148.16 74.7 0.28 Allowed Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.547 1.154 . . . . 0.0 110.955 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 125.34 9.2 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.502 1.79 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.3 mm -113.23 122.8 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.17 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.0 pt -142.01 175.33 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.373 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' CZ ' ' OD1' ' A' ' 79' ' ' ASN . 4.4 ptt180 -86.0 169.29 13.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.38 1.05 . . . . 0.0 110.269 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -99.6 144.94 28.11 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.577 1.173 . . . . 0.0 109.091 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.92 -82.33 0.91 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.46 1.1 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 179.56 134.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.783 . . . . 0.0 109.34 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' C ' ' HD2' ' A' ' 25' ' ' PRO . 0.2 OUTLIER 66.76 19.05 10.75 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.327 1.017 . . . . 0.0 109.522 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 t -78.42 -13.58 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -73.45 -58.73 2.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.281 0.988 . . . . 0.0 110.132 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -74.73 -11.66 22.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.374 1.723 . . . . 0.0 111.01 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.492 ' CG1' HD22 ' A' ' 63' ' ' LEU . 4.6 t -87.85 -44.82 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.208 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.3 tp -65.88 -40.2 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -43.55 89.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.275 0.984 . . . . 0.0 110.365 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.1 m -71.48 -28.97 64.3 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.603 1.189 . . . . 0.0 110.563 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.38 -15.34 58.79 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -86.42 -37.0 18.79 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.431 1.082 . . . . 0.0 110.214 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 33' ' ' ASP . 7.4 pt -68.28 -33.85 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.675 1.234 . . . . 0.0 109.378 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 32' ' ' ILE . 4.2 t70 -61.46 -26.03 67.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.99 148.74 38.9 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.31 53.44 3.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.63 1.858 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.75 62.06 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.966 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 47.34 1.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.358 0.681 . . . . 0.0 109.316 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 178.75 47.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.233 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 52' ' ' ALA . 1.1 mp -126.63 149.81 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.709 1.256 . . . . 0.0 109.19 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -123.13 119.77 31.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.326 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 42' ' ' GLU . 48.2 t -100.16 144.9 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.07 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' N ' HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -133.17 73.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -96.01 106.55 18.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 11.1 tpt180 -80.64 -57.6 3.5 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.297 0.998 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER 161.73 -47.69 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.385 1.053 . . . . 0.0 110.164 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.69 -34.87 52.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.227 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -133.03 169.27 17.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.837 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.9 t -130.87 115.49 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -115.75 148.71 39.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 mt -136.18 160.54 38.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.36 1.038 . . . . 0.0 109.378 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -151.65 118.8 5.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.411 1.069 . . . . 0.0 109.344 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.466 ' HB3' ' CG2' ' A' ' 13' ' ' VAL . . . -125.51 -177.42 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.254 0.971 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 11' ' ' ASN . 2.9 tt0 -65.78 -27.79 68.54 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.432 1.083 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.39 -12.78 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.195 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -125.44 124.47 41.5 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 ' C ' ' CG2' ' A' ' 57' ' ' ILE . 53.4 mt -142.32 154.84 45.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.38 1.05 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.476 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -152.46 124.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.92 148.73 44.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.656 1.222 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.5 p -138.1 10.64 2.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.599 1.187 . . . . 0.0 110.396 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.41 44.01 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.42 1.075 . . . . 0.0 110.302 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -18.89 62.22 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.536 1.148 . . . . 0.0 109.497 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 63' ' ' LEU . 10.1 t -76.91 -32.77 57.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.364 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.492 HD22 ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -74.4 -39.74 62.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 0.0 109.378 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' HD21 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -73.84 -34.13 64.41 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.41 1.069 . . . . 0.0 110.433 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.72 -36.39 62.67 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.442 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.7 mm-40 -67.5 -48.64 66.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.598 1.186 . . . . 0.0 110.155 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.7 mt -44.97 -26.58 0.44 Allowed 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.632 1.207 . . . . 0.0 109.303 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.64 64.86 0.32 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.567 1.167 . . . . 0.0 111.075 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.643 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 12.2 mtt180 -54.64 -43.23 98.05 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.19 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.83 63.77 5.85 Favored 'Trans proline' 0 C--N 1.363 1.322 0 O-C-N 124.282 1.675 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.613 ' CG ' ' N ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -158.13 -157.42 0.64 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.602 1.189 . . . . 0.0 110.956 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.613 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.03 -171.92 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 109.402 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -82.45 -15.09 53.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.642 1.213 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -65.46 -43.73 89.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.24 -27.87 66.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 110.196 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.11 -53.69 28.42 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.381 1.05 . . . . 0.0 109.241 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.401 ' O ' HD21 ' A' ' 80' ' ' LEU . 8.3 tt0 -65.86 -17.74 64.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -39.67 11.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.406 1.066 . . . . 0.0 109.329 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.483 ' OD1' ' CZ ' ' A' ' 18' ' ' ARG . 93.2 m-20 -80.98 76.01 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.173 . . . . 0.0 109.446 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -154.8 165.65 35.94 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.596 1.185 . . . . 0.0 109.1 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.13 -60.26 1.36 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.568 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -156.25 -166.61 2.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 82' ' ' SER . 43.1 m-85 -168.45 156.01 7.96 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.595 1.184 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.469 ' HB3' ' CA ' ' A' ' 14' ' ' GLY . . . -106.25 -22.65 12.78 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.595 1.184 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.26 -151.55 6.81 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.21 163.26 14.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.64 0.847 . . . . 0.0 110.41 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.565 HG23 ' CE2' ' A' ' 96' ' ' PHE . 1.4 pt -130.42 147.55 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.399 1.062 . . . . 0.0 109.315 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.405 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 5.2 mt-30 -143.14 152.31 41.66 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.715 1.26 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.7 143.12 50.86 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.405 1.066 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.0 t0 -112.67 -174.56 2.48 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.556 1.16 . . . . 0.0 109.225 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.4 pt-20 -30.35 -58.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -148.65 61.3 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.659 1.225 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 3.5 pt20 -168.0 166.86 13.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.072 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.518 HD13 ' CZ ' ' A' ' 96' ' ' PHE . 7.1 tt -139.69 130.02 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.383 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -122.38 149.98 43.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.091 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CE2' HG23 ' A' ' 87' ' ' ILE . 38.5 m-85 -125.1 144.77 50.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.33 1.019 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -164.93 149.1 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 124.438 1.086 . . . . 0.0 110.819 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 32.9 t80 -101.85 11.21 39.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.78 131.53 35.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -81.08 -98.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.425 1.078 . . . . 0.0 109.353 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 t -64.69 134.64 54.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.496 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.95 116.28 28.25 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 124.268 0.98 . . . . 0.0 110.435 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.745 ' C ' HD13 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -76.52 128.7 35.28 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.471 1.107 . . . . 0.0 109.41 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.461 ' N ' HD22 ' A' ' 3' ' ' LEU . . . -146.79 143.45 28.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.388 1.055 . . . . 0.0 109.445 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.19 156.04 44.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -158.79 149.84 20.35 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.647 1.217 . . . . 0.0 110.28 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -179.78 63.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.585 HD23 ' HD3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -115.37 161.85 17.96 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.509 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 2.7 t-160 85.8 164.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.356 1.035 . . . . 0.0 109.647 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -40.41 131.52 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.215 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 53' ' ' GLU . 6.6 m-20 -149.47 -69.69 0.2 Allowed 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.12 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -177.25 145.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.562 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -110.29 151.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.678 1.236 . . . . 0.0 109.206 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.689 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -148.16 74.7 0.28 Allowed Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.547 1.154 . . . . 0.0 110.955 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.575 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.1 Cg_endo -75.09 125.34 9.2 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.502 1.79 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 15' ' ' PRO . 11.3 mm -113.23 122.8 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.17 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.0 pt -142.01 175.33 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.373 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' CZ ' ' OD1' ' A' ' 79' ' ' ASN . 4.4 ptt180 -86.0 169.29 13.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.38 1.05 . . . . 0.0 110.269 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -99.6 144.94 28.11 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.577 1.173 . . . . 0.0 109.091 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.92 -82.33 0.91 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.46 1.1 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 179.56 134.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.783 . . . . 0.0 109.34 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER 66.76 19.05 10.75 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.327 1.017 . . . . 0.0 109.522 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.727 HG11 HG21 ' A' ' 48' ' ' VAL . 1.2 t -78.42 -13.58 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.519 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -73.45 -58.73 2.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.281 0.988 . . . . 0.0 110.132 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -74.73 -11.66 22.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.374 1.723 . . . . 0.0 111.01 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.894 HG13 HD11 ' A' ' 63' ' ' LEU . 4.6 t -87.85 -44.82 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.208 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 24' ' ' GLU . 7.3 tp -65.88 -40.2 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -65.62 -43.55 89.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.275 0.984 . . . . 0.0 110.365 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.1 m -71.48 -28.97 64.3 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.603 1.189 . . . . 0.0 110.563 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.38 -15.34 58.79 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -86.42 -37.0 18.79 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.431 1.082 . . . . 0.0 110.214 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 28' ' ' GLU . 7.4 pt -68.28 -33.85 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.675 1.234 . . . . 0.0 109.378 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 32' ' ' ILE . 4.2 t70 -61.46 -26.03 67.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.99 148.74 38.9 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.31 53.44 3.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.63 1.858 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.75 62.06 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.966 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 47.34 1.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.358 0.681 . . . . 0.0 109.316 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 178.75 47.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.233 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.496 HG12 ' HB2' ' A' ' 52' ' ' ALA . 1.1 mp -126.63 149.81 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.709 1.256 . . . . 0.0 109.19 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -123.13 119.77 31.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.326 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 50' ' ' ILE . 48.2 t -100.16 144.9 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.07 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.17 73.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.504 ' OD1' HG13 ' A' ' 48' ' ' VAL . 26.3 m-20 -96.01 106.55 18.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 11.1 tpt180 -80.64 -57.6 3.5 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.297 0.998 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER 161.73 -47.69 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.385 1.053 . . . . 0.0 110.164 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.69 -34.87 52.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.227 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -133.03 169.27 17.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.837 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.727 HG21 HG11 ' A' ' 23' ' ' VAL . 60.9 t -130.87 115.49 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -115.75 148.71 39.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.455 HG23 HG22 ' A' ' 41' ' ' VAL . 2.0 mt -136.18 160.54 38.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.36 1.038 . . . . 0.0 109.378 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -151.65 118.8 5.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.411 1.069 . . . . 0.0 109.344 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.757 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -125.51 -177.42 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.254 0.971 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 11' ' ' ASN . 2.9 tt0 -65.78 -27.79 68.54 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.432 1.083 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 97' ' ' TYR . . . 140.39 -12.78 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.195 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -125.44 124.47 41.5 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.757 HD11 ' CB ' ' A' ' 52' ' ' ALA . 53.4 mt -142.32 154.84 45.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.38 1.05 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.689 HD12 ' C ' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -152.46 124.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.92 148.73 44.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.656 1.222 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.5 p -138.1 10.64 2.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.599 1.187 . . . . 0.0 110.396 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.41 44.01 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.42 1.075 . . . . 0.0 110.302 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -18.89 62.22 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.536 1.148 . . . . 0.0 109.497 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -76.91 -32.77 57.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.364 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.894 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -74.4 -39.74 62.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 0.0 109.378 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.543 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -73.84 -34.13 64.41 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.41 1.069 . . . . 0.0 110.433 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.72 -36.39 62.67 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.443 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.7 mm-40 -67.5 -48.64 66.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.598 1.186 . . . . 0.0 110.155 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.471 HD11 HG21 ' A' ' 26' ' ' VAL . 39.7 mt -44.97 -26.58 0.44 Allowed 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.632 1.207 . . . . 0.0 109.303 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.64 64.86 0.32 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.567 1.167 . . . . 0.0 111.075 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.643 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 12.2 mtt180 -54.64 -43.23 98.05 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.19 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.83 63.77 5.85 Favored 'Trans proline' 0 C--N 1.363 1.322 0 O-C-N 124.282 1.675 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.613 ' CG ' ' N ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -158.13 -157.42 0.64 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.602 1.189 . . . . 0.0 110.956 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.613 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.03 -171.92 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 109.402 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -82.45 -15.09 53.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.642 1.213 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -65.46 -43.73 89.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.24 -27.87 66.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 110.196 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.11 -53.69 28.42 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.381 1.05 . . . . 0.0 109.241 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.605 ' O ' HD21 ' A' ' 80' ' ' LEU . 8.3 tt0 -65.86 -17.74 64.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -39.67 11.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.406 1.066 . . . . 0.0 109.329 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.483 ' OD1' ' CZ ' ' A' ' 18' ' ' ARG . 93.2 m-20 -80.98 76.01 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.173 . . . . 0.0 109.446 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -154.8 165.65 35.94 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.596 1.185 . . . . 0.0 109.1 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.13 -60.26 1.36 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.568 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -156.25 -166.61 2.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 82' ' ' SER . 43.1 m-85 -168.45 156.01 7.96 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.595 1.184 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.689 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -106.25 -22.65 12.78 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.595 1.184 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.26 -151.55 6.81 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.21 163.26 14.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.64 0.847 . . . . 0.0 110.41 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.578 HG22 ' CD2' ' A' ' 96' ' ' PHE . 1.4 pt -130.42 147.55 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.399 1.062 . . . . 0.0 109.315 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.404 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 5.2 mt-30 -143.14 152.31 41.66 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.715 1.26 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.7 143.12 50.86 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.405 1.066 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.0 t0 -112.67 -174.56 2.48 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.556 1.16 . . . . 0.0 109.225 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.4 pt-20 -30.35 -58.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -148.65 61.3 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.659 1.225 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 3.5 pt20 -168.0 166.86 13.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.072 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.1 tt -139.69 130.02 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.383 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -122.38 149.98 43.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.091 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CD2' HG22 ' A' ' 87' ' ' ILE . 38.5 m-85 -125.1 144.77 50.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.33 1.019 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 54' ' ' GLY . 40.4 p90 -164.93 149.1 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 124.438 1.086 . . . . 0.0 110.819 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 32.9 t80 -101.85 11.21 39.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.78 131.53 35.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HD3' HD23 ' A' ' 8' ' ' LEU . 21.8 mttt -81.08 -98.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.425 1.078 . . . . 0.0 109.353 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 t -64.69 134.64 54.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.496 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.95 116.28 28.25 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 124.268 0.98 . . . . 0.0 110.435 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.745 ' C ' HD13 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -76.52 128.7 35.28 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.471 1.107 . . . . 0.0 109.41 -179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.461 ' N ' HD22 ' A' ' 3' ' ' LEU . . . -146.79 143.45 28.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.388 1.055 . . . . 0.0 109.445 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.19 156.04 44.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -158.79 149.84 20.35 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.647 1.217 . . . . 0.0 110.28 -179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 6' ' ' GLN . . . -179.78 63.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.585 HD23 ' HD3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -115.37 161.85 17.96 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.509 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 2.7 t-160 85.8 164.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.356 1.035 . . . . 0.0 109.647 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -40.41 131.52 2.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.215 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 53' ' ' GLU . 6.6 m-20 -149.47 -69.69 0.2 Allowed 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.12 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -177.25 145.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 109.302 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.562 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -110.29 151.28 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.678 1.236 . . . . 0.0 109.206 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.689 ' H ' ' HB3' ' A' ' 84' ' ' ALA . . . -148.16 74.7 0.28 Allowed Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.547 1.154 . . . . 0.0 110.955 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.575 ' O ' HD13 ' A' ' 16' ' ' ILE . 18.1 Cg_endo -75.09 125.34 9.2 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.502 1.79 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 15' ' ' PRO . 11.3 mm -113.23 122.8 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.17 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.0 pt -142.01 175.33 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.373 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' CZ ' ' OD1' ' A' ' 79' ' ' ASN . 4.4 ptt180 -86.0 169.29 13.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.38 1.05 . . . . 0.0 110.269 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' ARG . . . -99.6 144.94 28.11 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.577 1.173 . . . . 0.0 109.091 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.92 -82.33 0.91 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.46 1.1 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t0 179.56 134.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.783 . . . . 0.0 109.34 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER 66.76 19.05 10.75 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.327 1.017 . . . . 0.0 109.522 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.727 HG11 HG21 ' A' ' 48' ' ' VAL . 1.2 t -78.42 -13.58 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.519 ' CB ' ' HD3' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -73.45 -58.73 2.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.281 0.988 . . . . 0.0 110.132 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 24' ' ' GLU . 18.3 Cg_endo -74.73 -11.66 22.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.374 1.723 . . . . 0.0 111.01 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.894 HG13 HD11 ' A' ' 63' ' ' LEU . 4.6 t -87.85 -44.82 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.208 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 24' ' ' GLU . 7.3 tp -65.88 -40.2 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -65.62 -43.55 89.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.275 0.984 . . . . 0.0 110.365 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.1 m -71.48 -28.97 64.3 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.603 1.189 . . . . 0.0 110.563 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.38 -15.34 58.79 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -86.42 -37.0 18.79 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.431 1.082 . . . . 0.0 110.214 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 28' ' ' GLU . 7.4 pt -68.28 -33.85 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.675 1.234 . . . . 0.0 109.378 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 32' ' ' ILE . 4.2 t70 -61.46 -26.03 67.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.99 148.74 38.9 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.31 53.44 3.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.63 1.858 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.75 62.06 1.38 Allowed Glycine 0 CA--C 1.531 1.034 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.966 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 47.34 1.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.358 0.681 . . . . 0.0 109.316 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 178.75 47.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.233 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.496 HG12 ' HB2' ' A' ' 52' ' ' ALA . 1.1 mp -126.63 149.81 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.709 1.256 . . . . 0.0 109.19 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -123.13 119.77 31.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.326 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 50' ' ' ILE . 48.2 t -100.16 144.9 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.07 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.17 73.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.504 ' OD1' HG13 ' A' ' 48' ' ' VAL . 26.3 m-20 -96.01 106.55 18.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 11.1 tpt180 -80.64 -57.6 3.5 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.297 0.998 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.501 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER 161.73 -47.69 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.385 1.053 . . . . 0.0 110.164 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.69 -34.87 52.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.227 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -133.03 169.27 17.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.837 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.727 HG21 HG11 ' A' ' 23' ' ' VAL . 60.9 t -130.87 115.49 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -115.75 148.71 39.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.455 HG23 HG22 ' A' ' 41' ' ' VAL . 2.0 mt -136.18 160.54 38.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.36 1.038 . . . . 0.0 109.378 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -151.65 118.8 5.9 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.411 1.069 . . . . 0.0 109.344 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.757 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -125.51 -177.42 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.254 0.971 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 11' ' ' ASN . 2.9 tt0 -65.78 -27.79 68.54 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.432 1.083 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 97' ' ' TYR . . . 140.39 -12.78 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.195 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -125.44 124.47 41.5 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.757 HD11 ' CB ' ' A' ' 52' ' ' ALA . 53.4 mt -142.32 154.84 45.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.38 1.05 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.689 ' C ' HD12 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -152.46 124.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.92 148.73 44.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.656 1.222 . . . . 0.0 109.353 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.5 p -138.1 10.64 2.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.599 1.187 . . . . 0.0 110.396 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.41 44.01 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.42 1.075 . . . . 0.0 110.302 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -18.89 62.22 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.536 1.148 . . . . 0.0 109.497 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -76.91 -32.77 57.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.364 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.894 HD11 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -74.4 -39.74 62.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 0.0 109.378 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.543 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -73.84 -34.13 64.41 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.41 1.069 . . . . 0.0 110.433 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.72 -36.39 62.67 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.443 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 1.7 mm-40 -67.5 -48.64 66.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.598 1.186 . . . . 0.0 110.155 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.471 HD11 HG21 ' A' ' 26' ' ' VAL . 39.7 mt -44.97 -26.58 0.44 Allowed 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.632 1.207 . . . . 0.0 109.303 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 71' ' ' PHE . . . -155.64 64.86 0.32 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.567 1.167 . . . . 0.0 111.075 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.643 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 12.2 mtt180 -54.64 -43.23 98.05 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.19 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 69' ' ' ARG . 18.3 Cg_endo -74.83 63.77 5.85 Favored 'Trans proline' 0 C--N 1.363 1.322 0 O-C-N 124.282 1.675 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.613 ' CG ' ' N ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -158.13 -157.42 0.64 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.602 1.189 . . . . 0.0 110.956 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.613 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -153.03 -171.92 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 109.402 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -82.45 -15.09 53.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.642 1.213 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -65.46 -43.73 89.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.24 -27.87 66.17 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 110.196 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.11 -53.69 28.42 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.381 1.05 . . . . 0.0 109.241 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.605 ' O ' HD21 ' A' ' 80' ' ' LEU . 8.3 tt0 -65.86 -17.74 64.86 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -39.67 11.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.406 1.066 . . . . 0.0 109.329 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.483 ' OD1' ' CZ ' ' A' ' 18' ' ' ARG . 93.2 m-20 -80.98 76.01 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.173 . . . . 0.0 109.446 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.605 HD21 ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER -154.8 165.65 35.94 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.596 1.185 . . . . 0.0 109.1 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.13 -60.26 1.36 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.514 1.134 . . . . 0.0 109.241 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.568 ' O ' ' CG ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -156.25 -166.61 2.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CG ' ' O ' ' A' ' 82' ' ' SER . 43.1 m-85 -168.45 156.01 7.96 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.595 1.184 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.689 ' HB3' ' H ' ' A' ' 14' ' ' GLY . . . -106.25 -22.65 12.78 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.595 1.184 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.26 -151.55 6.81 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.567 1.167 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.21 163.26 14.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.64 0.847 . . . . 0.0 110.41 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.578 HG22 ' CD2' ' A' ' 96' ' ' PHE . 1.4 pt -130.42 147.55 33.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.399 1.062 . . . . 0.0 109.315 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.404 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 5.2 mt-30 -143.14 152.31 41.66 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.715 1.26 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.7 143.12 50.86 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.405 1.066 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 91' ' ' GLU . 4.0 t0 -112.67 -174.56 2.48 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.556 1.16 . . . . 0.0 109.225 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' C ' ' O ' ' A' ' 90' ' ' ASP . 4.4 pt-20 -30.35 -58.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -148.65 61.3 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.659 1.225 . . . . 0.0 109.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 90' ' ' ASP . 3.5 pt20 -168.0 166.86 13.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.072 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.1 tt -139.69 130.02 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.383 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -122.38 149.98 43.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.091 -179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CD2' HG22 ' A' ' 87' ' ' ILE . 38.5 m-85 -125.1 144.77 50.25 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.33 1.019 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 54' ' ' GLY . 40.4 p90 -164.93 149.1 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 124.438 1.086 . . . . 0.0 110.819 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 32.9 t80 -101.85 11.21 39.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.78 131.53 35.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HD3' HD23 ' A' ' 8' ' ' LEU . 21.8 mttt -81.08 -98.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.425 1.078 . . . . 0.0 109.353 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.0 t -64.69 134.64 54.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.496 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.94 . . . . . . . . 1 1 . 1 stop_ save_