data_2dno_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 2dno _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 core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.367 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -39.42 144.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.2 mt -134.08 154.42 51.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -109.23 111.48 23.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.463 HG21 ' CE2' ' A' ' 91' ' ' PHE . 60.5 t -99.77 144.26 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.35 -171.8 12.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.0 mmt 52.89 42.58 32.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.4 mt -94.63 148.88 21.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.81 155.35 16.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -51.92 -30.13 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -66.49 -47.88 71.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -72.18 132.13 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 38.6 p -136.75 175.46 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' THR . 0.5 OUTLIER -37.47 -41.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.28 -58.53 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' MET . 21.3 m-20 -58.07 -62.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.1 t -48.38 -48.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -56.6 -59.77 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -66.58 -18.03 65.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' ASP . 10.5 ttp -88.91 -24.0 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CE2' HG21 ' A' ' 75' ' ' VAL . 4.7 m-85 -100.36 -21.95 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 21.2 mm-40 -58.37 -42.21 93.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.1 Cg_exo -47.94 -15.27 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 65.1 m-85 -118.99 31.14 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.25 163.18 10.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.2 m -88.14 115.02 25.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.1 mt -80.54 140.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.23 -43.95 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -130.54 123.1 28.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.6 t -134.28 117.97 17.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -127.56 131.5 50.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.44 140.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.82 108.52 19.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.965 0.412 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -46.55 -34.32 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.23 33.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -164.49 148.3 9.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.12 143.57 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.76 137.71 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 135.69 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -120.7 99.45 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.54 169.48 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -66.3 -32.77 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 65.0 p -149.95 161.79 41.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 124' ' ' ALA . 8.5 t60 -57.62 -60.3 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.01 -43.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.27 -39.2 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 121' ' ' HIS . . . -56.14 -55.17 36.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -55.76 -44.01 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.13 -59.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.85 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 78.2 mt -42.38 -57.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 128' ' ' ILE . 18.1 t-20 -34.46 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LEU . 75.2 m -108.37 -71.88 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 130' ' ' THR . 16.2 mt -34.35 -38.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.2 t60 -52.07 115.18 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.2 t 47.47 44.39 16.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 t -91.71 -75.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -99.55 171.25 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.1 m -122.27 83.61 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 33.8 mt -39.26 148.63 0.27 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.8 133.86 13.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.97 59.37 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -135.2 112.08 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 7.2 m -32.01 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -99.57 -176.93 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.5 m -78.26 174.28 11.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.1 tp -54.52 101.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 83.4 t -78.81 102.48 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.6 t -115.67 121.88 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -154.65 143.34 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -39.49 149.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -56.11 143.53 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.9 mt -121.92 155.71 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -107.7 112.89 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.8 t -104.41 140.34 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.04 -171.53 12.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.7 mmt 56.7 33.84 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.0 mt -88.78 161.46 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.06 158.27 16.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -51.72 -48.56 63.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -48.26 -52.12 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.26 129.57 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 11.8 t -126.06 170.88 11.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' CG ' HG21 ' A' ' 102' ' ' VAL . 3.2 m-20 -36.48 -47.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -53.76 -53.85 46.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.89 -70.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 85.8 t -41.9 -58.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.465 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 22.5 ttm180 -48.72 -63.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -57.92 -22.72 50.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.467 ' SD ' ' CZ ' ' A' ' 135' ' ' ARG . 19.3 ttp -87.98 -19.67 26.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' VAL . 3.7 m-85 -103.39 -14.32 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.637 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 13.9 mt-10 -64.14 -42.17 66.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -47.99 -15.13 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 62.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 131.02 172.67 13.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' GLN . 13.2 m -95.85 125.56 40.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 77.7 mt -86.57 135.79 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.449 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 3.4 t70 -95.64 -41.77 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.408 ' HG2' ' C ' ' A' ' 98' ' ' ASP . 20.6 mm-40 -145.4 129.62 17.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 28.4 t -133.56 120.32 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.5 m -134.85 134.41 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.42 HG21 ' CG ' ' A' ' 84' ' ' ASP . 45.4 t -100.36 139.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.544 HD13 ' CE2' ' A' ' 115' ' ' PHE . 88.2 mt -84.98 139.85 31.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -41.9 -29.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.43 37.05 1.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 5.1 p -167.66 154.0 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 102' ' ' VAL . . . -158.09 157.73 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.544 ' CE2' HD13 ' A' ' 103' ' ' LEU . 74.7 m-85 -105.83 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.12 122.74 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.449 ' CE ' ' HB3' ' A' ' 98' ' ' ASP . 2.8 ttpp -102.57 129.77 49.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.71 162.87 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.4 tt0 -62.98 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.8 p -139.9 139.95 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 122' ' ' ALA . 7.8 t60 -40.73 -58.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.54 -49.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.46 -53.01 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.54 -55.83 4.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -45.33 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.55 -42.66 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -62.89 -58.91 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.527 HD12 ' CE1' ' A' ' 148' ' ' PHE . 68.4 mt -49.64 -57.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 2.6 t30 -37.05 -38.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.2 m -101.88 -71.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 132' ' ' HIS . 20.0 mt -38.32 -53.0 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 34.6 t60 -34.64 122.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.9 m 38.45 51.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t -95.38 -74.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.467 ' CZ ' ' SD ' ' A' ' 90' ' ' MET . 15.1 ptp180 -99.26 178.37 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.3 m -132.74 77.2 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 136' ' ' THR . 26.8 mt -36.22 143.68 0.28 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.707 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.75 124.36 8.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.18 54.59 12.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.94 111.66 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.7 m -32.38 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.1 m -100.03 -175.06 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.6 m -80.29 160.46 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.7 tp -41.46 112.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.63 97.97 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.09 127.45 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.3 179.26 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.527 ' CE1' HD12 ' A' ' 128' ' ' ILE . 63.0 m-85 -83.32 158.24 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.037 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.8 mtm-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.923 0.392 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 7.7 ttpt -58.18 156.39 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.2 mt -141.19 131.23 24.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -86.81 121.05 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.95 137.29 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.36 179.9 16.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 62.27 46.69 5.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.4 mt -102.09 161.69 13.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.31 161.74 13.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -48.14 -47.84 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -51.83 -54.43 29.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.434 ' HG2' ' CD1' ' A' ' 137' ' ' LEU . 10.0 mp0 -67.68 112.56 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.7 p -121.06 176.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -38.89 -42.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.19 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.22 -72.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.8 t -39.09 -41.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 18.4 ttp180 -61.27 -62.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -61.51 -20.67 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.0 ttp -85.1 -22.81 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.511 ' CE1' HD11 ' A' ' 131' ' ' LEU . 3.2 m-85 -98.54 -14.83 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 11.8 mt-10 -60.6 -42.27 87.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -15.0 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 92' ' ' GLU . 63.3 m-85 -119.02 31.1 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.21 176.5 14.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -93.25 131.1 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 89.6 mt -93.07 130.99 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -101.47 -45.5 5.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -128.3 128.85 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.2 t -141.38 129.19 21.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 72.8 m -145.19 159.15 43.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.6 t -119.45 131.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.401 HD12 ' CE2' ' A' ' 115' ' ' PHE . 39.1 mt -82.35 144.48 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -58.49 -34.67 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.15 23.49 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.3 m -141.39 156.37 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.71 162.86 40.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.43 ' CD1' ' HE3' ' A' ' 72' ' ' LYS . 23.9 m-85 -114.17 123.73 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.54 137.17 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -121.86 120.85 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -92.2 154.56 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -53.27 -41.57 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -136.41 163.9 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 124' ' ' ALA . 6.0 t60 -61.22 -55.88 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.24 -66.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -48.86 -36.12 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 121' ' ' HIS . . . -57.75 -53.81 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -42.5 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.8 -63.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.96 -67.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 80.7 mt -40.9 -57.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' ILE . 19.8 t-20 -35.05 -44.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 98.9 m -102.73 -71.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.511 HD11 ' CE1' ' A' ' 91' ' ' PHE . 9.8 mt -34.52 -53.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 39.7 t60 -35.67 116.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 144' ' ' LEU . 2.8 m 39.33 52.89 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.9 t -92.14 -74.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -99.47 175.47 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.1 m -129.95 77.0 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 74.0 mt -37.63 143.13 0.39 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.71 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.19 117.79 2.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.26 5.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.0 110.31 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 111.075 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.1 m -31.95 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 27.6 p -99.94 -175.56 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -73.18 -179.11 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.4 tp -66.67 97.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.55 110.76 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.07 130.78 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -158.78 -179.26 7.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -74.93 151.84 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.407 ' CB ' ' HE2' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.352 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -47.31 142.61 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.0 mt -129.84 127.69 40.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -79.55 122.42 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -114.27 143.39 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.08 14.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.4 mmt 61.39 34.13 18.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.4 mt -90.51 150.95 21.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.29 146.4 18.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -39.51 -40.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.6 -49.67 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 82' ' ' GLN . 7.6 mp0 -73.83 134.49 43.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 t -125.52 -179.64 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.13 -43.19 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.52 -36.47 76.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -70.56 -65.49 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.422 HG12 ' CE1' ' A' ' 91' ' ' PHE . 91.7 t -47.34 -46.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.444 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 28.8 ttt180 -56.88 -64.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.19 -20.04 62.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.6 ttp -84.96 -22.26 29.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.462 ' CD1' HD11 ' A' ' 131' ' ' LEU . 3.5 m-85 -100.12 -15.92 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 23.3 mt-10 -58.99 -42.17 92.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.588 0.708 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.7 Cg_exo -48.01 -15.08 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.67 175.77 14.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 119' ' ' GLN . 56.4 m -95.47 118.14 31.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 81.1 mt -78.01 125.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -87.46 -49.02 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -135.5 127.58 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 36.5 t -126.32 109.93 12.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 102' ' ' VAL . 86.8 m -120.28 141.52 49.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.416 ' N ' HG23 ' A' ' 101' ' ' THR . 80.2 t -118.22 137.23 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.7 mt -86.6 115.99 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.953 0.406 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.73 -28.23 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.91 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 28.3 p -161.66 152.47 17.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -162.42 153.55 17.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -104.86 133.23 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.27 129.85 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -113.2 125.83 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -93.73 166.38 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.6 tt0 -61.76 -37.5 84.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.0 p -142.53 139.37 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -38.65 -53.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -40.73 -68.14 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 122' ' ' ALA . 42.5 mt-10 -36.37 -50.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -47.97 -61.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.63 -40.86 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.79 -57.06 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -58.45 -53.77 54.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.551 HD11 ' CE1' ' A' ' 148' ' ' PHE . 64.4 mt -47.36 -58.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -41.41 -35.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 131' ' ' LEU . 89.4 m -101.67 -73.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 127' ' ' ALA . 12.4 mt -34.97 -37.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.7 t60 -56.49 118.93 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 m 44.89 48.08 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -96.34 -70.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 135' ' ' ARG . 4.7 ptp180 -100.03 174.68 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.5 m -132.58 75.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 136' ' ' THR . 28.4 mt -37.96 141.99 0.47 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.11 128.96 17.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.45 43.04 54.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -132.82 109.89 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 11.9 p -31.89 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.3 t -100.2 -174.94 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.5 p -80.09 153.05 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 143' ' ' SER . 9.9 tp -35.22 115.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.44 104.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 81.4 t -117.93 123.65 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -156.03 165.63 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 128' ' ' ILE . 76.3 m-85 -63.34 140.21 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.508 ' HE3' ' CG ' ' A' ' 115' ' ' PHE . 43.0 tttt -47.69 139.38 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.3 mt -127.43 158.85 36.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -115.24 128.8 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t -119.95 148.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.15 -162.32 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.6 mmt 45.31 32.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 144' ' ' LEU . 57.3 mt -86.94 162.55 17.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.74 155.53 16.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -50.87 -46.47 60.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.291 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -47.07 -55.69 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -67.39 141.85 56.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.6 p -136.68 175.81 9.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' CG ' HG21 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -42.57 -39.77 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.16 -62.21 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -53.73 -53.84 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.52 -53.24 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 45.5 ttt180 -55.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -58.97 -22.08 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttp -85.18 -21.22 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 131' ' ' LEU . 4.5 m-85 -104.73 -6.87 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.4 mt-10 -68.2 -42.16 28.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -48.0 -15.2 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -119.01 31.1 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.17 170.89 12.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.0 m -91.1 123.08 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 70.3 mt -88.22 123.39 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.469 ' OD2' ' NE2' ' A' ' 119' ' ' GLN . 6.5 m-20 -94.68 -46.17 7.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -125.6 124.71 41.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.0 t -141.09 121.63 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.2 m -143.6 145.24 32.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.406 HG21 ' CG ' ' A' ' 84' ' ' ASP . 73.5 t -103.19 151.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.3 mt -103.22 129.57 50.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -44.91 -39.35 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.62 30.87 1.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.3 p -161.92 152.0 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.32 162.04 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.508 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 30.1 m-85 -106.41 136.29 46.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.0 t -128.4 126.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -112.33 137.49 50.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -107.08 170.01 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.469 ' NE2' ' OD2' ' A' ' 98' ' ' ASP . 6.7 tp-100 -70.34 -41.29 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 121' ' ' HIS . 70.8 p -135.84 137.68 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 120' ' ' THR . 9.6 t60 -37.23 -57.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.61 -67.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.15 -41.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.28 -62.22 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 126' ' ' ALA . 4.8 tp-100 -41.17 -55.9 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 125' ' ' GLN . . . -36.16 -62.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.47 -67.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 19.6 mt -38.97 -59.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' ILE . 53.1 t-20 -36.39 -38.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' HIS . 99.0 m -105.7 -72.29 0.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 130' ' ' THR . 14.9 mt -34.24 -35.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 62.0 t60 -53.37 110.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.8 p 52.75 30.2 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.4 p -70.46 -74.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -99.95 171.61 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.9 m -124.31 80.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 136' ' ' THR . 82.6 mt -36.3 143.93 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.3 128.41 14.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 62.11 56.48 22.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.99 110.14 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 140' ' ' ALA . 31.1 t -31.94 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -179.07 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 69.8 m -75.01 176.93 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.46 ' CD1' HD22 ' A' ' 78' ' ' LEU . 17.7 tp -61.82 89.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.84 122.09 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 5.9 t -134.67 136.73 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -165.96 145.16 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -40.02 158.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -40.33 136.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.9 mt -125.18 144.3 50.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -100.87 115.33 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.39 135.51 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.51 175.19 17.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.5 mmt 62.51 46.9 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.1 mt -101.17 158.53 15.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.02 156.51 16.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -44.77 -42.26 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.698 0.285 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -50.87 -54.84 20.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -73.69 122.55 22.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 64.1 p -127.82 174.57 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 34.3 t0 -36.88 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' THR . 2.5 tp10 -72.7 -61.16 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.54 -50.82 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -55.33 -39.8 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -69.95 -55.08 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -66.42 -20.07 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttp -87.77 -20.54 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -102.47 -15.17 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.5 mm-40 -62.86 -42.19 76.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.3 Cg_exo -48.01 -15.06 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -119.11 31.18 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.24 176.79 14.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.7 m -93.32 128.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.6 mt -95.01 117.92 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.19 -49.23 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -127.26 148.01 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.0 t -162.63 138.25 7.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.3 m -155.91 153.1 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.3 t -115.45 128.99 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 40.5 mt -76.05 122.14 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -38.87 -33.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.36 19.06 2.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.66 140.52 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.87 150.41 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -101.07 136.73 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.27 131.24 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -115.18 118.48 33.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -89.04 162.35 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -66.53 -36.34 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 64.1 p -142.43 147.96 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -50.76 -50.31 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.55 -56.42 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.17 -50.39 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -46.9 -51.61 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 125' ' ' GLN . 6.4 tp60 -55.94 -41.28 74.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.23 -57.63 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -51.31 -63.71 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.6 mt -42.76 -61.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 128' ' ' ILE . 59.7 t-20 -34.96 -44.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 131' ' ' LEU . 93.1 m -100.51 -72.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 127' ' ' ALA . 15.2 mt -35.2 -53.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.3 t60 -35.61 126.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 144' ' ' LEU . 44.4 t 34.59 53.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.4 t -95.86 -74.68 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 143' ' ' SER . 5.5 ptp85 -99.9 179.35 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.3 m -134.32 79.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.2 mt -39.38 142.26 0.61 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.7 126.16 12.18 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.96 43.78 32.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.57 109.43 8.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.0 m -32.06 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -100.1 -175.0 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 135' ' ' ARG . 3.2 p -83.08 160.07 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.0 tp -39.55 122.05 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.85 96.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.48 121.78 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -148.46 169.57 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -67.78 140.33 56.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -48.43 126.6 11.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.58 147.84 31.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -100.22 107.57 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.5 t -95.11 146.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.57 -171.51 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.96 39.01 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -94.68 158.81 15.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.9 153.66 16.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -50.18 -41.98 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -43.77 -50.46 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.406 ' C ' HG21 ' A' ' 83' ' ' THR . 24.5 mp0 -67.41 151.06 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.406 HG21 ' C ' ' A' ' 82' ' ' GLN . 19.4 p -134.71 158.71 43.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -40.18 -30.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.75 -50.82 47.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' VAL . 59.2 m-20 -52.85 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ASP . 95.8 t -38.11 -48.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -53.65 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.56 -17.68 64.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.417 ' SD ' ' NH1' ' A' ' 135' ' ' ARG . 26.2 ttp -86.04 -24.21 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -102.8 -13.63 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 18.0 mm-40 -61.64 -42.25 82.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.2 Cg_exo -47.94 -15.16 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.464 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 60.9 m-85 -118.98 31.12 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.92 173.05 13.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.5 m -93.1 123.66 36.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.0 mt -91.27 124.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 -36.39 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 100' ' ' CYS . 5.3 tm-20 -137.12 145.68 44.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 99' ' ' GLU . 53.5 t -153.0 131.14 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.5 m -154.28 145.03 22.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.7 t -107.86 144.67 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 53.2 mt -94.01 124.16 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.973 0.416 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -62.91 -36.79 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.29 41.85 0.62 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -163.87 150.93 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -156.28 153.38 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -102.17 125.65 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 72.1 t -115.86 109.33 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -91.24 122.69 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.453 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 11.4 m-85 -95.65 167.59 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -67.99 -34.1 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.8 p -149.12 162.01 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.71 -44.89 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.16 -71.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.27 -50.23 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 118' ' ' PHE . . . -48.55 -44.95 36.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.02 -40.39 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -49.26 -69.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -36.29 -63.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 57.2 mt -39.89 -63.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' ILE . 12.9 t-20 -35.79 -44.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LEU . 48.2 m -96.52 -74.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 94' ' ' PHE . 10.5 mt -34.9 -59.01 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.7 t60 -37.51 117.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t 50.9 45.61 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.6 t -95.94 -75.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.417 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 9.2 ptm180 -100.04 177.51 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 m -132.69 85.13 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.65 152.57 0.89 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.6 126.14 11.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.614 2.209 . . . . 0.0 112.374 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.06 18.23 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.91 112.03 17.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.6 t -32.39 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.3 m -95.65 -174.98 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.2 m -72.83 -175.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.0 tp -70.92 125.72 27.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.25 111.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 t -119.67 109.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.44 141.89 35.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -44.65 132.24 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.88 0.371 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -127.49 138.57 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -120.99 132.66 55.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -88.75 110.1 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.456 ' CG1' HD13 ' A' ' 144' ' ' LEU . 47.4 t -98.0 141.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.17 179.34 18.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.26 50.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.342 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.79 146.35 29.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.91 149.37 19.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -59.24 -18.98 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -73.56 -42.96 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -69.77 153.18 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -136.97 174.95 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -45.59 -52.56 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -46.4 -53.07 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.22 -69.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.01 -59.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 8.9 ttm180 -51.49 -55.74 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -61.53 -23.19 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.7 ttp -86.01 -20.46 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.419 ' C ' ' HD2' ' A' ' 93' ' ' PRO . 4.4 m-85 -99.94 -19.29 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 6.9 mm-40 -57.65 -42.48 95.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.96 -14.86 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 69.4 m-85 -118.81 31.17 6.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.74 176.39 14.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 m -92.54 139.1 30.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.69 0.281 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 97.0 mt -99.97 120.66 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.63 -39.61 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -136.74 140.64 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 45.4 t -152.96 118.54 5.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.4 m -135.64 144.91 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.66 136.3 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.407 HD12 ' CE2' ' A' ' 115' ' ' PHE . 25.3 mt -92.93 130.22 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.945 0.402 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -56.52 -25.78 52.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.01 30.93 6.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.84 138.49 16.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.09 151.07 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.407 ' CE2' HD12 ' A' ' 103' ' ' LEU . 42.0 m-85 -104.08 116.55 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.8 t -107.05 137.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -119.13 131.1 55.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -101.65 158.46 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.06 -40.17 92.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -138.81 146.14 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -50.69 -46.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.14 -53.04 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.51 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.56 -45.92 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -52.13 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.04 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.07 -65.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' ASN . 54.2 mt -44.12 -55.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 128' ' ' ILE . 14.3 t-20 -34.98 -40.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 131' ' ' LEU . 70.6 m -109.63 -68.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 130' ' ' THR . 13.0 mt -35.81 -48.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' A' ' 146' ' ' VAL . 37.2 t60 -54.03 108.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t 64.11 47.48 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 92.3 p -99.87 -74.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.401 ' CD ' HD23 ' A' ' 137' ' ' LEU . 12.9 ptp180 -100.02 159.99 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 42.1 m -120.71 75.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 136' ' ' THR . 75.7 mt -35.12 152.92 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.588 0.709 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.86 121.01 7.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 33.19 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.07 115.09 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.731 0.3 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 140' ' ' ALA . 63.2 m -32.39 -76.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 37.2 m -100.08 -177.38 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' LEU . 1.3 t -76.19 174.91 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.456 HD13 ' CG1' ' A' ' 75' ' ' VAL . 28.8 tp -54.57 108.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.47 100.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.432 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 11.1 t -115.1 108.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -144.9 144.33 31.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -38.93 145.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.937 0.399 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 19.6 ttpt -40.51 141.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.8 mt -125.56 146.45 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -99.16 119.39 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -110.79 138.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.37 -173.97 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.0 mmt 59.44 33.86 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.13 157.84 16.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.16 155.66 16.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -48.26 -40.84 26.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -50.68 -54.37 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.401 ' HG3' ' CD1' ' A' ' 137' ' ' LEU . 32.5 mm-40 -72.9 142.23 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ASP . 42.6 p -139.81 169.8 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 5.0 t70 -36.56 -37.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.99 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 90' ' ' MET . 5.9 m-20 -59.26 -55.92 28.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.37 -54.76 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -52.51 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -61.41 -19.93 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.478 ' CB ' ' O ' ' A' ' 86' ' ' ASP . 21.1 ttp -85.35 -22.14 28.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 131' ' ' LEU . 3.1 m-85 -100.38 -15.74 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 19.2 mt-10 -59.73 -42.2 90.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.6 Cg_exo -47.94 -14.68 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.487 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 60.5 m-85 -118.6 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 128.1 165.8 11.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -83.36 131.24 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 81.3 mt -94.77 132.87 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -101.86 -44.18 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -132.54 133.54 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 38.8 t -148.38 116.41 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -134.97 135.7 41.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.7 t -98.99 149.52 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.31 119.71 33.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.982 0.42 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -50.61 -25.8 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.67 33.11 1.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 p -165.3 147.98 7.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.35 157.11 36.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.545 ' CD1' ' HE3' ' A' ' 72' ' ' LYS . 48.3 m-85 -105.03 130.38 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 117' ' ' LYS . 65.0 t -119.39 135.52 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.411 ' N ' HG11 ' A' ' 116' ' ' VAL . 41.2 tttm -119.18 128.3 54.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 25.5 m-85 -98.1 164.7 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.85 -25.2 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.8 p -148.71 155.68 41.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -59.31 -56.63 19.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.18 -55.46 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -50.53 -57.65 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 118' ' ' PHE . . . -40.73 -61.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.35 -51.19 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.25 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -40.83 -61.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.5 mt -47.49 -45.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -47.48 -39.09 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' LEU . 54.5 m -108.28 -66.0 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 94' ' ' PHE . 11.7 mt -35.13 -43.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 33.4 t60 -47.07 121.12 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' HIS . 21.9 t 36.87 53.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -99.95 -69.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -99.68 172.52 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -127.46 81.17 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' A' ' 82' ' ' GLN . 88.4 mt -41.16 143.44 0.77 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -46.89 123.39 7.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.92 53.52 14.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.98 111.58 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 111.064 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 18.9 m -32.4 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.5 m -100.03 -175.33 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 m -73.06 176.85 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.07 103.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.58 115.54 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.99 132.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -156.64 -179.3 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -78.55 149.73 32.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 39.7 mtt85 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.88 0.372 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.533 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 27.6 ttmt -35.76 138.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.9 mt -118.32 141.43 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -95.56 113.05 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.6 t -108.18 129.6 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.59 -171.02 14.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.6 mmt 52.83 42.21 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 mt -96.6 150.71 20.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.79 149.03 17.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -40.85 -43.12 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.713 0.292 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -48.64 -56.18 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -66.19 122.08 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' ASP . 68.0 p -121.22 166.69 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.92 -28.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.6 tp10 -73.98 -43.42 58.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' THR . 39.1 m-20 -65.33 -60.83 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.449 HG12 ' CG2' ' A' ' 116' ' ' VAL . 55.5 t -46.33 -55.71 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.403 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 14.9 ttt180 -51.39 -63.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -59.32 -21.75 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttp -88.79 -19.01 26.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 87' ' ' VAL . 3.6 m-85 -103.28 -17.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.4 mt-10 -62.58 -42.21 77.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.96 -15.3 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -119.03 31.1 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.55 170.41 12.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.3 m -91.84 126.89 37.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 55.8 mt -91.34 126.16 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.42 -30.92 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -141.12 138.8 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.0 t -148.18 128.11 13.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 m -155.69 141.72 18.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.48 150.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.0 mt -99.6 119.58 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.98 0.419 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -46.14 -32.37 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.13 16.05 5.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -151.39 150.49 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.46 163.3 37.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.1 m-85 -112.7 131.53 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.449 ' CG2' HG12 ' A' ' 87' ' ' VAL . 98.6 t -124.39 118.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.8 158.99 15.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.71 -31.72 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 46.4 p -140.59 158.74 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -65.78 -43.78 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.41 -43.42 44.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.25 -49.92 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.05 -42.6 39.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -69.57 -39.2 77.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.43 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -54.12 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 61.3 mt -44.34 -55.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 128' ' ' ILE . 57.9 t-20 -34.95 -40.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 131' ' ' LEU . 94.3 m -107.57 -69.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 130' ' ' THR . 13.7 mt -35.54 -45.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 69.3 t60 -50.31 119.85 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.4 p 47.3 47.41 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.464 ' HG ' ' N ' ' A' ' 135' ' ' ARG . 1.9 t -96.46 -75.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.464 ' N ' ' HG ' ' A' ' 134' ' ' SER . 4.8 ptp180 -98.81 168.9 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.1 m -126.77 80.25 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.6 152.27 0.54 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.25 130.51 17.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.02 17.52 53.41 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -125.61 112.08 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.9 m -32.4 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.3 m -95.1 -175.43 3.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.0 m -70.05 -178.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.98 113.48 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.1 t -84.1 110.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.41 119.22 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -146.78 -177.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -78.25 156.2 29.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 8.3 ttpt -47.75 136.79 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.421 HD22 ' CD1' ' A' ' 128' ' ' ILE . 79.8 mt -124.23 134.54 53.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -90.68 121.35 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.51 133.24 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.15 -177.66 14.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 mmt 59.82 32.78 21.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.5 mt -86.98 165.72 15.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.14 148.51 18.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.52 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -53.48 -46.01 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -43.74 -50.7 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.09 156.21 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 85' ' ' GLU . 30.2 p -135.16 156.54 48.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.508 ' CG ' ' CG2' ' A' ' 102' ' ' VAL . 0.5 OUTLIER -41.51 -25.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 83' ' ' THR . 12.9 mt-10 -73.5 -50.93 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -50.21 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 91' ' ' PHE . 99.2 t -38.77 -50.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 61.2 ttt-85 -50.65 -66.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -59.78 -20.31 55.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttp -85.42 -21.62 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CD1' HG11 ' A' ' 87' ' ' VAL . 3.9 m-85 -104.56 -16.89 14.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.9 mt-10 -58.31 -42.2 93.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -48.02 -14.94 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -118.81 30.97 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.96 154.78 8.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.439 HG21 ' N ' ' A' ' 97' ' ' ILE . 29.9 m -72.55 135.47 45.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.176 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 59.3 mt -98.27 117.32 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.424 ' OD1' ' NE2' ' A' ' 119' ' ' GLN . 12.1 m-20 -76.23 -50.69 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -130.69 149.3 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.69 116.46 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -136.67 135.09 37.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.508 ' CG2' ' CG ' ' A' ' 84' ' ' ASP . 74.7 t -96.14 147.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.22 129.24 42.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -48.43 -28.01 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.38 33.18 2.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.38 150.3 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.878 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.21 165.58 30.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CD1' ' HE3' ' A' ' 72' ' ' LYS . 20.9 m-85 -116.16 124.92 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.66 121.4 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -105.73 108.86 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -78.7 165.44 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.424 ' NE2' ' OD1' ' A' ' 98' ' ' ASP . 6.1 tp-100 -73.97 -28.77 61.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.3 p -145.7 155.13 42.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -57.71 -57.24 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.55 -56.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -54.5 -43.33 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.7 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -67.54 -39.72 85.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -55.22 27.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -51.46 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 74.3 mt -46.02 -58.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 41.4 t30 -35.24 -38.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' LEU . 71.9 m -107.2 -70.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 127' ' ' ALA . 13.5 mt -36.86 -41.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.1 t60 -50.41 123.75 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t 41.08 51.48 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.0 p -99.86 -74.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -98.9 -177.27 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.9 m -139.23 105.92 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.2 mt -71.09 143.5 88.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.12 121.64 5.44 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.737 2.292 . . . . 0.0 112.345 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.34 42.9 11.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.03 108.07 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 36.5 m -31.42 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.4 p -99.54 -175.07 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.9 m -77.9 156.43 30.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 143' ' ' SER . 11.9 tp -35.02 106.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.21 104.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.25 126.23 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -156.84 153.82 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -50.0 142.36 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.423 ' NE ' ' HE3' ' A' ' 117' ' ' LYS . 5.2 ptt180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.935 0.397 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.0 ttpt -36.56 142.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.9 mt -128.01 149.78 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -105.13 113.63 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 t -103.25 139.62 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.87 -176.15 14.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 56.04 45.14 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 mt -99.4 161.64 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.02 155.8 16.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -59.19 -17.5 28.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.733 0.301 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -75.2 -49.05 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.29 138.06 53.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.8 t -131.55 172.42 12.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.49 -48.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.04 -60.6 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 90' ' ' MET . 22.2 m-20 -51.07 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.8 t -45.49 -59.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.466 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 57.8 ttt180 -49.38 -61.46 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -59.71 -22.81 62.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 86' ' ' ASP . 17.4 ttp -86.39 -19.97 28.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -104.33 -11.9 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 20.9 mm-40 -63.75 -42.25 70.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -47.97 -14.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 92' ' ' GLU . 66.9 m-85 -118.79 31.15 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.71 169.41 12.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 97' ' ' ILE . 57.7 m -89.24 133.88 34.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 111.19 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 53.0 mt -98.34 118.28 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -43.02 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -139.85 159.39 42.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.6 t -164.82 120.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -129.31 126.66 39.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -96.32 137.92 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 55.6 mt -88.89 133.6 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -56.48 -39.28 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.09 38.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 7.2 p -170.93 146.22 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.32 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -97.52 117.38 31.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.4 t -103.86 141.59 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.423 ' HE3' ' NE ' ' A' ' 71' ' ' ARG . 24.2 tttp -122.39 115.45 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -88.83 164.88 15.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.17 -37.62 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' HIS . 82.1 p -144.54 136.57 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' THR . 7.3 t60 -35.86 -48.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -43.71 -72.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -37.37 -53.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -41.74 -43.81 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -56.1 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.89 -46.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -58.52 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 75.6 mt -47.96 -58.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' ILE . 24.5 t30 -34.47 -39.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' LEU . 91.1 m -107.54 -72.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 130' ' ' THR . 12.0 mt -34.38 -39.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 32.2 t60 -55.46 111.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.6 t 58.5 49.32 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 m -99.96 -74.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.403 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 18.5 ptp180 -99.5 171.31 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.6 m -128.39 72.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 136' ' ' THR . 43.1 mt -34.84 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.06 126.98 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.5 45.3 18.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.56 109.08 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.8 m -32.17 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.8 t -100.2 -174.98 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.2 m -70.82 176.65 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.46 109.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.9 t -82.41 109.98 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 4.1 t -124.87 124.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -156.91 148.26 22.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -42.03 162.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -45.94 126.04 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.2 mt -111.48 146.73 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -98.92 110.18 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.01 147.74 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.29 -179.25 22.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.446 ' CG ' HG23 ' A' ' 145' ' ' VAL . 20.4 mmt 60.67 38.09 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.05 171.54 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.81 169.79 14.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -4.35 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.692 0.282 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -96.88 -54.6 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -45.83 154.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 p -139.86 177.54 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.28 -27.37 22.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -69.98 -55.39 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.4 -61.48 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 79.8 t -49.27 -40.55 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 16.0 ttm180 -65.26 -61.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -61.0 -20.99 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.8 ttp -87.48 -19.9 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 87' ' ' VAL . 3.2 m-85 -101.73 -12.11 18.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 22.8 mt-10 -66.11 -42.14 48.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.8 Cg_exo -47.95 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' A' ' 92' ' ' GLU . 61.2 m-85 -118.78 31.18 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.27 177.0 14.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -91.63 137.89 32.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 67.2 mt -98.47 126.86 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.57 -32.13 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -152.51 160.44 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.4 t -169.99 123.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -140.83 139.1 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 103' ' ' LEU . 65.4 t -95.82 144.34 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.486 HD12 ' CE2' ' A' ' 115' ' ' PHE . 35.9 mt -98.45 121.48 40.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.924 0.393 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -72.62 -27.84 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.85 28.0 3.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -157.96 148.64 20.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.06 158.21 43.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.486 ' CE2' HD12 ' A' ' 103' ' ' LEU . 38.3 m-85 -105.85 120.4 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.1 t -114.27 115.11 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -102.96 113.41 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -79.89 174.41 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.413 ' C ' HG23 ' A' ' 120' ' ' THR . 6.3 tt0 -73.81 -38.79 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 119' ' ' GLN . 77.4 p -142.23 148.64 38.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 11.6 t60 -41.71 -64.04 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -34.48 -59.47 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.33 -47.3 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.59 74.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -64.99 -39.19 93.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.19 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -39.92 -58.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 129' ' ' ASN . 68.9 mt -45.1 -61.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' ILE . 3.0 m120 -35.43 -42.53 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LEU . 18.5 m -100.15 -73.83 0.62 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 127' ' ' ALA . 11.6 mt -34.4 -66.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 131' ' ' LEU . 56.8 t60 -35.99 110.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.8 t 59.44 47.3 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 131' ' ' LEU . 5.4 t -98.93 -75.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -99.96 -175.83 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.8 m -127.9 74.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 136' ' ' THR . 70.6 mt -34.91 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.551 0.691 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 120.69 7.1 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.97 24.71 29.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -128.63 108.07 10.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 140' ' ' ALA . 21.0 m -31.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.0 m -91.04 -174.99 4.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.9 m -71.34 174.45 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.2 137.82 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.446 HG23 ' CG ' ' A' ' 77' ' ' MET . 18.3 t -106.03 118.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.1 t -132.63 107.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -140.95 151.29 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -49.05 150.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.889 0.375 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 15.5 ttmt -49.89 149.43 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.3 mt -132.19 134.16 45.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -89.79 121.03 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 141.36 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.25 -170.83 12.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.38 38.18 24.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.5 mt -90.01 163.68 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -116.09 163.05 12.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -63.79 -43.76 95.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -50.31 -54.64 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' OE1' ' CG ' ' A' ' 86' ' ' ASP . 43.6 mm-40 -62.23 151.81 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -137.14 -177.14 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -56.69 -30.74 63.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.65 -44.88 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.438 ' CG ' ' OE1' ' A' ' 82' ' ' GLN . 47.5 m-20 -62.27 -73.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.425 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 96.1 t -41.84 -34.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -66.08 -62.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -66.26 -16.66 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.9 ttp -85.71 -23.16 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 87' ' ' VAL . 3.8 m-85 -99.77 -15.17 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.2 mt-10 -60.5 -42.19 87.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 63.7 Cg_exo -47.98 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.435 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 63.8 m-85 -118.83 31.1 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 126.52 154.94 8.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -76.87 116.86 17.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.299 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.3 127.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.25 -27.06 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -152.85 149.78 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 43.6 t -158.69 119.21 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.7 m -143.03 129.94 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.7 t -87.56 150.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 115' ' ' PHE . 39.6 mt -101.35 122.96 44.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.938 0.399 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -72.22 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.53 42.55 0.8 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 p -169.05 156.13 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.55 154.69 32.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.537 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.2 m-85 -105.41 113.13 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.53 125.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -107.87 137.22 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -106.95 160.33 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -61.69 -28.71 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.9 p -150.33 170.81 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' ALA . 73.3 t60 -68.59 -62.36 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.2 -46.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.28 -50.08 67.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.437 HE22 ' ND2' ' A' ' 129' ' ' ASN . 1.5 tm0? -65.62 -40.63 92.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -48.45 -50.24 32.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -53.67 -55.48 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 148' ' ' PHE . 82.3 mt -47.43 -58.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.437 ' ND2' HE22 ' A' ' 125' ' ' GLN . 26.1 m120 -35.46 -40.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 77.1 m -105.35 -71.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' ALA . 9.9 mt -34.78 -47.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.438 ' ND1' ' O ' ' A' ' 146' ' ' VAL . 15.7 t60 -49.61 118.23 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 t 50.82 47.17 25.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 t -98.51 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 176.03 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -133.38 81.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 37.8 mt -41.03 142.21 0.88 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.74 120.24 4.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.51 48.71 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.83 106.89 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 140' ' ' ALA . 41.3 t -31.23 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.7 m -98.75 -174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.8 m -74.77 172.44 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.65 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.05 102.5 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.438 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 37.8 t -115.85 117.45 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 148' ' ' PHE . 6.1 pttm -152.93 138.86 18.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.441 ' CE1' ' CD1' ' A' ' 128' ' ' ILE . 55.3 m-85 -37.34 152.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -56.69 147.78 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.0 mt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -94.17 117.16 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 t -104.76 138.93 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.73 176.35 19.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 mmt 62.08 44.04 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 144' ' ' LEU . 72.6 mt -100.28 162.94 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -124.88 157.59 19.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.431 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -48.54 -35.94 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -56.57 -45.71 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 82' ' ' GLN . 8.4 mp0 -75.55 132.06 40.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' ASP . 14.2 t -134.51 169.62 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.5 p-10 -36.77 -39.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -63.6 -54.62 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.5 -65.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.85 -50.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -53.37 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.78 -19.86 60.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 30.1 ttp -84.12 -23.19 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 131' ' ' LEU . 3.1 m-85 -101.77 -12.61 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.8 mt-10 -60.71 -42.22 86.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.76 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.97 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 65.7 m-85 -118.63 30.93 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.25 161.39 11.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.4 m -76.1 132.56 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.52 125.48 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.28 -39.71 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 44.3 tp10 -128.88 152.91 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 44.1 t -170.62 115.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -133.44 135.73 44.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.89 126.5 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.48 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.907 0.384 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -59.36 -21.43 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.41 39.57 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -163.83 149.65 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.345 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -159.14 154.45 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -102.54 133.27 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.0 t -124.56 124.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -106.65 145.43 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -115.82 149.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -49.79 -31.36 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.6 p -152.8 142.18 21.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' ALA . 10.0 t60 -42.4 -51.01 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -38.03 -62.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 124' ' ' ALA . 53.0 mm-40 -48.57 -59.02 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' GLU . . . -36.8 -54.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -49.05 -58.07 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.57 -63.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -41.62 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.7 mt -40.6 -64.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 9.5 t-20 -34.47 -38.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 m -102.49 -71.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.559 ' HG ' ' CE2' ' A' ' 94' ' ' PHE . 16.4 mt -39.04 -46.34 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.0 t60 -45.92 117.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t 45.17 53.05 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 88.7 p -96.65 -73.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -99.51 171.94 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.3 m -125.35 87.31 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.0 mt -48.55 153.4 1.38 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.77 125.29 10.93 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 18.41 50.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.52 112.12 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.2 m -32.72 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.4 p -93.37 -176.91 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 m -76.77 174.23 10.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.414 ' CD1' HD23 ' A' ' 78' ' ' LEU . 24.1 tp -55.02 121.22 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.24 102.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.6 t -112.59 122.57 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -151.99 161.82 42.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -60.37 142.47 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -61.64 142.75 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 128' ' ' ILE . 26.7 mt -124.92 138.02 54.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -88.87 123.29 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.6 t -116.19 145.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.18 -178.1 18.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.5 mmt 57.75 35.65 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.9 mt -88.63 152.78 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.68 150.28 18.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -40.64 -29.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.6 -49.01 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -73.6 110.85 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -121.27 176.05 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.01 -58.0 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -55.86 -65.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.5 t -39.79 -54.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 25.3 ttt180 -51.83 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -62.59 -20.23 64.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.8 ttp -86.83 -23.06 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -99.47 -17.0 18.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 5.7 mm-40 -59.99 -42.15 88.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -48.0 -14.71 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.407 ' H ' ' C ' ' A' ' 92' ' ' GLU . 54.1 m-85 -118.7 31.1 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.05 -179.37 16.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 m -95.47 137.65 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.415 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 64.8 mt -99.36 126.39 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.71 -36.74 16.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -137.65 154.72 49.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.7 t -159.8 137.3 9.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.1 m -159.7 138.58 10.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.6 t -109.21 143.25 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 45.0 mt -92.19 123.29 35.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.939 0.399 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -44.46 -39.87 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.45 0.38 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.0 p -169.03 147.69 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -152.75 156.79 39.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.471 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 60.2 m-85 -109.36 128.64 55.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.68 136.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -118.06 117.06 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 14.8 m-85 -89.34 165.49 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.402 ' C ' HG22 ' A' ' 120' ' ' THR . 15.1 tt0 -69.02 -34.93 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.402 HG22 ' C ' ' A' ' 119' ' ' GLN . 81.9 p -141.64 140.73 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -44.52 -38.75 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.11 -59.58 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -50.23 -40.99 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.536 ' HA ' ' CD2' ' A' ' 118' ' ' PHE . . . -57.9 -40.09 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -68.98 -45.51 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.0 51.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -87.33 -50.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 73' ' ' LEU . 41.8 mt -61.82 -20.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -25.09 38.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 134' ' ' SER . 98.4 m -110.94 -10.88 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 132' ' ' HIS . 14.0 mt -100.52 -59.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 133' ' ' SER . 63.3 t60 -36.27 126.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' HIS . 5.6 t 33.53 40.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 130' ' ' THR . 46.0 m -100.19 -72.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.78 161.95 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.0 m -123.02 96.08 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.6 mt -48.41 141.56 9.05 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.88 113.72 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 82.32 46.54 6.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.83 108.94 8.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.9 m -32.22 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 m -99.62 165.79 11.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.4 m -60.05 161.81 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.26 116.63 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.5 t -86.01 116.96 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 17.3 t -134.63 131.57 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -166.64 156.66 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -53.12 123.34 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 72' ' ' LYS . 29.4 mtm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.9 ttpm? -36.73 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.1 mt -136.32 148.0 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -99.68 122.26 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -113.5 121.61 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.88 -176.13 16.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.3 mmt 61.32 32.95 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.8 mt -89.01 161.9 16.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.89 156.62 16.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -51.99 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.701 0.286 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -54.01 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.91 147.43 52.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -138.84 177.6 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.14 -47.73 23.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.29 -51.09 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -59.49 -68.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.6 t -41.17 -49.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.84 -58.48 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -63.37 -20.54 65.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttp -86.94 -21.26 26.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -99.27 -15.07 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.6 mt-10 -62.53 -42.14 77.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -14.64 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 71.5 m-85 -118.61 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.42 175.81 14.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 m -92.18 134.99 34.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.108 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.1 mt -96.96 123.36 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -77.85 -45.42 24.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 10.9 tp10 -142.46 155.45 45.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.9 t -160.84 131.1 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.6 m -147.86 135.84 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.179 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 64.8 t -98.91 137.44 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 115' ' ' PHE . 41.2 mt -86.81 146.93 26.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 60.0 mtm-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.976 0.417 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -48.2 -29.38 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.25 28.54 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 22.9 p -158.75 148.38 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.28 157.72 43.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 103' ' ' LEU . 23.0 m-85 -113.04 128.89 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.0 t -119.93 129.96 74.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -114.98 105.83 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -75.86 151.75 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.92 -35.8 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.0 p -144.52 166.61 24.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 8.2 t60 -63.73 -53.47 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.43 -67.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -48.7 -54.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -41.67 -39.14 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -72.97 -38.18 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.68 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -50.69 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.481 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 82.6 mt -42.02 -58.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.8 -39.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 131' ' ' LEU . 76.3 m -101.81 -72.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.546 ' HG ' ' CE2' ' A' ' 94' ' ' PHE . 17.4 mt -35.44 -52.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.1 t60 -40.72 118.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 25.0 t 51.76 47.69 24.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -99.1 -73.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.424 ' NE ' HD23 ' A' ' 137' ' ' LEU . 16.2 ptm180 -99.69 172.93 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 m -128.21 76.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.424 HD23 ' NE ' ' A' ' 135' ' ' ARG . 50.4 mt -40.47 152.34 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.54 129.51 15.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.65 16.86 56.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -123.36 111.34 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.4 t -32.44 -75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 65.8 m -95.45 178.04 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.5 p -62.29 -177.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.9 tp -70.83 131.01 43.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 99.3 t -102.64 99.0 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.71 124.5 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -153.84 -179.59 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -72.8 154.21 40.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HE2' ' CG ' ' A' ' 115' ' ' PHE . 35.2 tttt -51.5 121.43 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.79 139.11 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -94.06 113.29 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -104.17 138.5 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -169.14 11.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.1 mmt 53.44 37.61 26.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.08 158.72 15.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.49 155.32 16.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -56.03 -45.61 79.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -47.21 -63.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -45.48 151.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.7 p -132.76 176.88 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -35.67 60.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -64.71 -43.08 94.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.17 -74.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -41.03 -48.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.448 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 22.4 ttp180 -54.53 -68.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.27 -21.64 35.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttp -83.73 -23.06 31.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -102.34 -8.71 20.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 46.6 mt-10 -64.74 -42.19 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.91 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.443 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 64.5 m-85 -118.57 31.11 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.75 166.16 12.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 97' ' ' ILE . 6.0 m -82.47 135.6 35.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.097 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 73.6 mt -96.16 119.9 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.45 -43.62 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -137.88 140.43 40.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 t -151.46 124.41 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.2 m -146.63 136.97 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.49 125.27 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.58 112.52 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -49.8 -20.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.72 27.27 8.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.36 138.32 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -140.61 144.59 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CG ' ' HE2' ' A' ' 72' ' ' LYS . 40.1 m-85 -96.56 125.69 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 56.7 t -116.43 119.84 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -106.2 101.93 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -70.43 170.07 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.84 -37.14 86.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 69.5 p -146.33 173.71 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 122' ' ' ALA . 12.0 t60 -61.15 -62.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.61 -63.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -44.85 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.83 -37.97 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.71 -49.59 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.2 -54.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.25 -68.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.3 mt -42.34 -56.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.0 t-20 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LEU . 28.7 m -104.86 -71.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' THR . 11.4 mt -34.4 -57.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 40.4 t60 -35.18 107.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 t 59.01 50.5 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 131' ' ' LEU . 2.1 t -99.46 -74.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -99.51 177.28 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.0 m -133.96 77.48 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 136' ' ' THR . 60.0 mt -36.92 141.85 0.38 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.52 118.63 3.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.02 53.22 4.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.05 110.58 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.0 m -32.4 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.9 m -100.18 -175.1 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -71.56 171.95 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.83 108.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.6 122.74 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 t -136.81 114.36 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -144.74 -176.91 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -78.23 143.05 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -40.1 143.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.418 ' N ' ' HG2' ' A' ' 72' ' ' LYS . 75.0 mt -127.64 138.43 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -90.19 108.78 19.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.16 131.32 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.25 -178.03 15.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.7 mmt 60.26 41.89 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 137' ' ' LEU . 31.4 mt -98.71 163.43 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.68 157.53 20.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.73 -45.23 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -43.59 -52.15 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -76.04 144.82 40.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -133.49 172.22 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -43.35 -39.51 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.18 -48.34 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -62.95 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.19 -58.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 35.6 ttt180 -48.26 -62.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -59.35 -22.22 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.0 ttp -85.9 -20.6 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -101.66 -12.82 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 53.8 mm-40 -63.48 -42.18 71.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.96 -14.53 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.454 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 67.4 m-85 -118.67 31.09 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.23 176.66 14.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.452 HG21 ' N ' ' A' ' 97' ' ' ILE . 98.6 m -91.53 140.76 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 95.0 mt -100.05 134.09 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 97' ' ' ILE . 4.1 t70 -96.38 -43.36 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -137.32 147.29 45.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 t -160.8 138.64 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 102' ' ' VAL . 76.2 m -163.08 142.05 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.441 ' N ' HG22 ' A' ' 101' ' ' THR . 19.1 t -98.28 146.99 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 115' ' ' PHE . 25.4 mt -100.87 132.29 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' LYS . 29.5 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' SER . 9.3 mmtp -37.47 -40.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.4 28.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -161.29 153.52 19.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.05 162.48 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' ' 103' ' ' LEU . 18.1 m-85 -108.13 122.86 47.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.6 t -119.21 128.16 75.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -116.27 126.01 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -92.11 166.91 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -72.41 -39.76 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.7 p -135.39 139.36 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 122' ' ' ALA . 19.3 t60 -40.86 -57.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.77 -66.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -46.54 -53.06 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.3 -50.05 12.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -62.23 -47.37 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.95 -50.92 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.83 -59.25 4.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.438 ' CG2' ' HB2' ' A' ' 132' ' ' HIS . 63.4 mt -51.86 -52.58 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.8 t30 -35.04 -41.23 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 131' ' ' LEU . 64.1 m -105.86 -67.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 94' ' ' PHE . 25.7 mt -36.95 -50.84 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.438 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 46.5 t60 -41.42 113.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.4 m 52.06 46.08 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t -95.43 -74.77 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -99.95 176.03 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 137' ' ' LEU . 22.6 m -131.55 82.08 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 78' ' ' LEU . 51.1 mt -36.33 142.71 0.32 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.3 117.2 2.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.0 52.29 5.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.59 109.25 7.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.2 t -31.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 t -100.05 172.76 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.1 m -62.72 -179.81 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.65 97.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.93 97.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.405 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 22.1 t -108.25 113.41 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -149.7 154.12 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -58.42 131.65 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.6 mtt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' ARG . 11.5 ttpt -34.9 137.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 118' ' ' PHE . 67.9 mt -121.21 143.1 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -101.5 112.09 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.23 149.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.91 178.43 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 61.31 45.89 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.1 mt -99.77 167.81 10.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.85 156.88 16.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' GLN . 3.9 tppp? -55.34 -53.26 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.2 mp0 -35.78 -65.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -50.69 154.3 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 t -137.19 168.53 19.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' CG ' HG23 ' A' ' 102' ' ' VAL . 2.4 m-20 -47.27 -26.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -72.49 -44.37 62.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.18 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.38 -54.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.17 -66.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -59.48 -20.54 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.7 ttp -83.06 -23.24 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -105.24 -4.69 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.5 mt-10 -67.64 -42.23 34.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.94 -14.52 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 92' ' ' GLU . 56.3 m-85 -118.61 31.26 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.2 171.48 13.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.7 m -91.13 136.7 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 57.0 mt -98.83 136.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -95.27 -31.68 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -150.01 164.26 35.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.6 t -171.92 136.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.1 m -153.8 130.34 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.451 ' HA ' ' CB ' ' A' ' 114' ' ' ALA . 59.8 t -89.08 121.86 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.67 137.82 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -53.01 -24.59 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.66 24.29 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -145.72 156.8 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 102' ' ' VAL . . . -160.09 154.12 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -101.87 126.8 48.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -116.2 120.65 65.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -102.48 112.03 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.455 ' CD1' HD13 ' A' ' 73' ' ' LEU . 15.9 m-85 -85.23 163.94 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.32 -36.42 81.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.7 p -147.78 163.12 37.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 122' ' ' ALA . 24.6 t60 -60.05 -56.77 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.13 -51.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.13 -54.71 37.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -43.15 -49.58 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.62 84.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.06 -55.32 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -52.75 -68.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.528 HD11 ' CE1' ' A' ' 148' ' ' PHE . 20.0 mt -40.48 -55.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -38.87 -39.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 131' ' ' LEU . 53.8 m -108.13 -69.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 130' ' ' THR . 9.6 mt -36.14 -51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 26.9 t60 -39.79 116.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.8 t 45.67 52.03 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 t -99.58 -74.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.97 174.66 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.7 m -134.21 87.62 2.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 32.9 mt -46.25 142.88 3.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.35 117.23 2.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.39 54.64 3.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.73 110.0 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.5 t -32.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -99.45 -175.35 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.1 m -74.28 179.98 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.77 93.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -70.23 118.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.6 t -130.04 121.73 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -145.47 -179.31 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.528 ' CE1' HD11 ' A' ' 128' ' ' ILE . 67.9 m-85 -84.15 152.41 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.7 p 44.88 41.92 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 t -174.04 138.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.18 -66.13 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 t -63.88 -54.84 28.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.0 p -65.55 125.99 26.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.97 78.26 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.1 m -123.69 148.29 46.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -94.26 148.24 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.19 78.14 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -70.61 81.01 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -149.65 111.16 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -49.65 -56.82 8.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -39.42 144.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.2 mt -134.08 154.42 51.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -109.23 111.48 23.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.463 HG21 ' CE2' ' A' ' 91' ' ' PHE . 60.5 t -99.77 144.26 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.35 -171.8 12.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.0 mmt 52.89 42.58 32.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.4 mt -94.63 148.88 21.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.81 155.35 16.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -51.92 -30.13 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -66.49 -47.88 71.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -72.18 132.13 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 38.6 p -136.75 175.46 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' THR . 0.5 OUTLIER -37.47 -41.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.28 -58.53 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' MET . 21.3 m-20 -58.07 -62.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.1 t -48.38 -48.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -56.6 -59.77 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -66.58 -18.03 65.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' ASP . 10.5 ttp -88.91 -24.0 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CE2' HG21 ' A' ' 75' ' ' VAL . 4.7 m-85 -100.36 -21.95 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 21.2 mm-40 -58.37 -42.21 93.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.1 Cg_exo -47.94 -15.27 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 65.1 m-85 -118.99 31.14 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.25 163.18 10.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.2 m -88.14 115.02 25.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.1 mt -80.54 140.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.23 -43.95 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -130.54 123.1 28.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.6 t -134.28 117.97 17.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -127.56 131.5 50.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.44 140.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.82 108.52 19.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -127.19 165.8 18.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.56 -146.22 20.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.29 -45.6 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' GLY . 4.0 m-20 -83.53 39.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' ASP . . . 36.55 39.69 0.38 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.423 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.7 m -97.47 123.83 41.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 t -58.97 96.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -46.55 -34.32 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.23 33.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -164.49 148.3 9.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.12 143.57 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.76 137.71 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 135.69 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -120.7 99.45 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.54 169.48 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -66.3 -32.77 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 65.0 p -149.95 161.79 41.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 124' ' ' ALA . 8.5 t60 -57.62 -60.3 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.01 -43.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.27 -39.2 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 121' ' ' HIS . . . -56.14 -55.17 36.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -55.76 -44.01 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.13 -59.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.85 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 78.2 mt -42.38 -57.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 128' ' ' ILE . 18.1 t-20 -34.46 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LEU . 75.2 m -108.37 -71.88 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 130' ' ' THR . 16.2 mt -34.35 -38.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.2 t60 -52.07 115.18 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.2 t 47.47 44.39 16.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 t -91.71 -75.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -99.55 171.25 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.1 m -122.27 83.61 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 33.8 mt -39.26 148.63 0.27 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.8 133.86 13.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.97 59.37 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -135.2 112.08 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 7.2 m -32.01 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -99.57 -176.93 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.5 m -78.26 174.28 11.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.1 tp -54.52 101.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 83.4 t -78.81 102.48 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.6 t -115.67 121.88 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -154.65 143.34 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -39.49 149.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -98.45 165.83 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -128.22 130.24 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 152' ' ' GLU . 19.4 m -110.77 131.86 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 151' ' ' THR . 8.2 mm-40 -36.27 131.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.12 -177.23 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -130.78 88.28 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 88.1 p -109.36 137.66 46.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 163.03 177.72 36.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.58 143.91 5.62 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 t -82.86 -49.01 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 95.1 p -117.89 96.65 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -149.0 147.79 28.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.827 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.2 m -131.27 147.01 52.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.19 101.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.6 p -71.62 -44.88 63.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 t 46.01 44.77 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.43 149.84 17.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.7 p -109.98 -50.28 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -118.91 -57.78 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.96 -117.22 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -134.52 107.08 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.4 176.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -131.42 -48.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -56.11 143.53 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.9 mt -121.92 155.71 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -107.7 112.89 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 41.8 t -104.41 140.34 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.04 -171.53 12.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.7 mmt 56.7 33.84 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.0 mt -88.78 161.46 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.06 158.27 16.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -51.72 -48.56 63.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -48.26 -52.12 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.26 129.57 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 11.8 t -126.06 170.88 11.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' CG ' HG21 ' A' ' 102' ' ' VAL . 3.2 m-20 -36.48 -47.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -53.76 -53.85 46.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.89 -70.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 85.8 t -41.9 -58.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.465 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 22.5 ttm180 -48.72 -63.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -57.92 -22.72 50.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.467 ' SD ' ' CZ ' ' A' ' 135' ' ' ARG . 19.3 ttp -87.98 -19.67 26.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 87' ' ' VAL . 3.7 m-85 -103.39 -14.32 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.637 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 13.9 mt-10 -64.14 -42.17 66.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -47.99 -15.13 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 62.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 131.02 172.67 13.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' GLN . 13.2 m -95.85 125.56 40.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 77.7 mt -86.57 135.79 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.449 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 3.4 t70 -95.64 -41.77 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.408 ' HG2' ' C ' ' A' ' 98' ' ' ASP . 20.6 mm-40 -145.4 129.62 17.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 28.4 t -133.56 120.32 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.5 m -134.85 134.41 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.42 HG21 ' CG ' ' A' ' 84' ' ' ASP . 45.4 t -100.36 139.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.544 HD13 ' CE2' ' A' ' 115' ' ' PHE . 88.2 mt -84.98 139.85 31.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -146.37 166.88 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.48 -179.06 43.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.68 -51.62 7.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -63.35 -40.08 96.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.45 38.94 0.96 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.7 m -101.89 134.27 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.327 . . . . 0.0 111.182 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 t -58.55 88.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -41.9 -29.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.43 37.05 1.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 5.1 p -167.66 154.0 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 102' ' ' VAL . . . -158.09 157.73 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.544 ' CE2' HD13 ' A' ' 103' ' ' LEU . 74.7 m-85 -105.83 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.12 122.74 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.449 ' CE ' ' HB3' ' A' ' 98' ' ' ASP . 2.8 ttpp -102.57 129.77 49.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.71 162.87 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.4 tt0 -62.98 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.8 p -139.9 139.95 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 122' ' ' ALA . 7.8 t60 -40.73 -58.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.54 -49.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.46 -53.01 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.54 -55.83 4.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -45.33 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.55 -42.66 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -62.89 -58.91 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.527 HD12 ' CE1' ' A' ' 148' ' ' PHE . 68.4 mt -49.64 -57.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 2.6 t30 -37.05 -38.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.2 m -101.88 -71.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 132' ' ' HIS . 20.0 mt -38.32 -53.0 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 34.6 t60 -34.64 122.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.9 m 38.45 51.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t -95.38 -74.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.467 ' CZ ' ' SD ' ' A' ' 90' ' ' MET . 15.1 ptp180 -99.26 178.37 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.3 m -132.74 77.2 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 136' ' ' THR . 26.8 mt -36.22 143.68 0.28 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.707 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.75 124.36 8.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.18 54.59 12.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.94 111.66 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.7 m -32.38 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.1 m -100.03 -175.06 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.6 m -80.29 160.46 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.7 tp -41.46 112.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.63 97.97 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 12.1 t -103.09 127.45 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.3 179.26 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.527 ' CE1' HD12 ' A' ' 128' ' ' ILE . 63.0 m-85 -83.32 158.24 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -102.9 170.67 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 65.27 32.98 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 14.7 t -97.19 126.5 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -133.72 142.25 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 42.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.95 130.44 39.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.2 m -168.36 123.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -103.03 146.15 16.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.33 117.43 4.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.5 t -99.48 85.73 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.8 m -58.22 122.27 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -149.11 152.15 35.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 p -134.73 -48.5 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.814 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.59 -108.41 0.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.1 m -135.94 164.16 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.8 p -96.53 7.04 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.42 -131.09 26.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 p -122.34 -177.49 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -105.19 37.34 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -109.67 104.35 1.87 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -88.24 43.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -110.29 122.24 47.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.8 mtm-85 -66.41 -43.99 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.43 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 7.7 ttpt -58.18 156.39 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.2 mt -141.19 131.23 24.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -86.81 121.05 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.9 t -113.95 137.29 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.36 179.9 16.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 62.27 46.69 5.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.4 mt -102.09 161.69 13.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.31 161.74 13.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -48.14 -47.84 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -51.83 -54.43 29.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' HG2' ' CD1' ' A' ' 137' ' ' LEU . 10.0 mp0 -67.68 112.56 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.7 p -121.06 176.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -38.89 -42.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.19 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.22 -72.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.8 t -39.09 -41.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 18.4 ttp180 -61.27 -62.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -61.51 -20.67 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.0 ttp -85.1 -22.81 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.511 ' CE1' HD11 ' A' ' 131' ' ' LEU . 3.2 m-85 -98.54 -14.83 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 11.8 mt-10 -60.6 -42.27 87.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -15.0 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 92' ' ' GLU . 63.3 m-85 -119.02 31.1 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.21 176.5 14.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -93.25 131.1 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 89.6 mt -93.07 130.99 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -101.47 -45.5 5.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -128.3 128.85 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.2 t -141.38 129.19 21.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 72.8 m -145.19 159.15 43.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 96.6 t -119.45 131.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.401 HD12 ' CE2' ' A' ' 115' ' ' PHE . 39.1 mt -82.35 144.48 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -139.35 167.57 21.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.59 176.31 35.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.36 -30.98 6.02 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.294 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.44 -46.82 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.35 -19.48 5.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 77.6 p -65.21 136.98 57.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.4 p -59.49 110.99 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -58.49 -34.67 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.15 23.49 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.3 m -141.39 156.37 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.71 162.86 40.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.43 ' CD1' ' HE3' ' A' ' 72' ' ' LYS . 23.9 m-85 -114.17 123.73 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.54 137.17 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -121.86 120.85 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -92.2 154.56 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -53.27 -41.57 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -136.41 163.9 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 124' ' ' ALA . 6.0 t60 -61.22 -55.88 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.24 -66.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -48.86 -36.12 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 121' ' ' HIS . . . -57.75 -53.81 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -42.5 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.8 -63.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.96 -67.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 80.7 mt -40.9 -57.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' ILE . 19.8 t-20 -35.05 -44.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 98.9 m -102.73 -71.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.511 HD11 ' CE1' ' A' ' 91' ' ' PHE . 9.8 mt -34.52 -53.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 39.7 t60 -35.67 116.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 144' ' ' LEU . 2.8 m 39.33 52.89 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.9 t -92.14 -74.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -99.47 175.47 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.1 m -129.95 77.0 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 74.0 mt -37.63 143.13 0.39 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.71 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.19 117.79 2.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.26 5.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.0 110.31 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 111.075 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.1 m -31.95 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 27.6 p -99.94 -175.56 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -73.18 -179.11 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.4 tp -66.67 97.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.55 110.76 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.07 130.78 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -158.78 -179.26 7.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -74.93 151.84 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.407 ' CB ' ' HE2' ' A' ' 72' ' ' LYS . . . -85.14 163.66 18.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -125.84 93.41 3.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 77.4 p -144.91 112.79 6.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.188 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -81.05 122.09 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -83.02 -61.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.11 149.85 26.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 29.8 t -97.44 -52.86 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 131.73 71.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.98 -30.54 4.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.4 m -115.93 174.71 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -92.3 158.0 16.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -152.22 123.74 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -143.02 163.92 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.95 160.83 9.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.0 p -136.91 176.01 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.825 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.0 p -131.34 101.83 5.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -104.19 124.54 8.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -108.0 104.06 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -117.13 101.58 8.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.83 -64.59 0.44 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 61.64 43.1 10.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.58 116.33 28.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -65.51 -60.88 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -47.31 142.61 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.0 mt -129.84 127.69 40.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -79.55 122.42 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -114.27 143.39 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.08 14.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.4 mmt 61.39 34.13 18.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.4 mt -90.51 150.95 21.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.29 146.4 18.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -39.51 -40.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.6 -49.67 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 82' ' ' GLN . 7.6 mp0 -73.83 134.49 43.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 t -125.52 -179.64 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.13 -43.19 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.52 -36.47 76.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -70.56 -65.49 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.422 HG12 ' CE1' ' A' ' 91' ' ' PHE . 91.7 t -47.34 -46.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.444 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 28.8 ttt180 -56.88 -64.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.19 -20.04 62.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.6 ttp -84.96 -22.26 29.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.462 ' CD1' HD11 ' A' ' 131' ' ' LEU . 3.5 m-85 -100.12 -15.92 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 23.3 mt-10 -58.99 -42.17 92.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.588 0.708 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.7 Cg_exo -48.01 -15.08 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.67 175.77 14.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 119' ' ' GLN . 56.4 m -95.47 118.14 31.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 81.1 mt -78.01 125.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -87.46 -49.02 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -135.5 127.58 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 36.5 t -126.32 109.93 12.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 102' ' ' VAL . 86.8 m -120.28 141.52 49.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.416 ' N ' HG23 ' A' ' 101' ' ' THR . 80.2 t -118.22 137.23 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 58.7 mt -86.6 115.99 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -132.39 169.88 15.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.97 -150.73 5.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.43 136.71 11.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.9 t70 61.37 31.27 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 44.88 43.26 8.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -86.89 117.71 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.2 t -61.31 101.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.73 -28.23 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.91 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 28.3 p -161.66 152.47 17.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -162.42 153.55 17.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -104.86 133.23 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.27 129.85 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -113.2 125.83 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -93.73 166.38 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.6 tt0 -61.76 -37.5 84.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.0 p -142.53 139.37 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -38.65 -53.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -40.73 -68.14 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 122' ' ' ALA . 42.5 mt-10 -36.37 -50.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -47.97 -61.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.63 -40.86 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -55.79 -57.06 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -58.45 -53.77 54.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.551 HD11 ' CE1' ' A' ' 148' ' ' PHE . 64.4 mt -47.36 -58.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -41.41 -35.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 131' ' ' LEU . 89.4 m -101.67 -73.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 127' ' ' ALA . 12.4 mt -34.97 -37.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.7 t60 -56.49 118.93 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 m 44.89 48.08 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -96.34 -70.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 135' ' ' ARG . 4.7 ptp180 -100.03 174.68 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.5 m -132.58 75.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 136' ' ' THR . 28.4 mt -37.96 141.99 0.47 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.11 128.96 17.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.45 43.04 54.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -132.82 109.89 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 11.9 p -31.89 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.3 t -100.2 -174.94 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.5 p -80.09 153.05 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 143' ' ' SER . 9.9 tp -35.22 115.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.44 104.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 81.4 t -117.93 123.65 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -156.03 165.63 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 128' ' ' ILE . 76.3 m-85 -63.34 140.21 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -97.28 128.64 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -91.11 115.41 28.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 13.0 t -61.15 159.96 11.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -100.6 132.49 45.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 -50.82 4.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 155' ' ' SER . 9.8 mm-40 -147.91 174.77 11.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 154' ' ' GLU . 43.1 t -37.26 149.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -75.83 -92.68 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.09 93.1 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.7 t -63.56 83.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.4 t -47.0 -56.75 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.4 m -144.15 175.69 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -129.35 -58.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -136.73 50.14 0.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -128.76 126.54 40.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.1 m -59.66 -59.81 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.06 -153.41 29.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 p -81.63 172.91 12.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -79.73 160.65 26.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 -140.95 47.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -156.56 114.35 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -121.19 116.8 25.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -76.97 -61.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.508 ' HE3' ' CG ' ' A' ' 115' ' ' PHE . 43.0 tttt -47.69 139.38 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.3 mt -127.43 158.85 36.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -115.24 128.8 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 t -119.95 148.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.15 -162.32 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.6 mmt 45.31 32.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 144' ' ' LEU . 57.3 mt -86.94 162.55 17.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.74 155.53 16.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -50.87 -46.47 60.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.291 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -47.07 -55.69 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -67.39 141.85 56.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.6 p -136.68 175.81 9.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' CG ' HG21 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -42.57 -39.77 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.16 -62.21 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -53.73 -53.84 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.52 -53.24 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 45.5 ttt180 -55.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -58.97 -22.08 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttp -85.18 -21.22 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 131' ' ' LEU . 4.5 m-85 -104.73 -6.87 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.4 mt-10 -68.2 -42.16 28.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -48.0 -15.2 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -119.01 31.1 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.17 170.89 12.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.0 m -91.1 123.08 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 70.3 mt -88.22 123.39 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' OD2' ' NE2' ' A' ' 119' ' ' GLN . 6.5 m-20 -94.68 -46.17 7.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -125.6 124.71 41.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.0 t -141.09 121.63 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.2 m -143.6 145.24 32.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.406 HG21 ' CG ' ' A' ' 84' ' ' ASP . 73.5 t -103.19 151.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 43.3 mt -103.22 129.57 50.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -134.93 -175.67 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -91.93 -148.57 22.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.03 -49.01 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.24 -45.89 58.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 138.5 33.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.0 p -90.01 134.6 34.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.837 0.351 . . . . 0.0 111.099 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 t -67.98 92.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -44.91 -39.35 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.62 30.87 1.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.3 p -161.92 152.0 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.32 162.04 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.508 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 30.1 m-85 -106.41 136.29 46.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.0 t -128.4 126.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -112.33 137.49 50.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -107.08 170.01 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.469 ' NE2' ' OD2' ' A' ' 98' ' ' ASP . 6.7 tp-100 -70.34 -41.29 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 121' ' ' HIS . 70.8 p -135.84 137.68 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 120' ' ' THR . 9.6 t60 -37.23 -57.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.61 -67.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.15 -41.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.28 -62.22 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 126' ' ' ALA . 4.8 tp-100 -41.17 -55.9 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 125' ' ' GLN . . . -36.16 -62.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.47 -67.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.482 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 19.6 mt -38.97 -59.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' ILE . 53.1 t-20 -36.39 -38.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' HIS . 99.0 m -105.7 -72.29 0.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 130' ' ' THR . 14.9 mt -34.24 -35.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 62.0 t60 -53.37 110.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.8 p 52.75 30.2 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.4 p -70.46 -74.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -99.95 171.61 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.9 m -124.31 80.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 136' ' ' THR . 82.6 mt -36.3 143.93 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.3 128.41 14.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 62.11 56.48 22.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.99 110.14 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 140' ' ' ALA . 31.1 t -31.94 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -179.07 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 69.8 m -75.01 176.93 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.46 ' CD1' HD22 ' A' ' 78' ' ' LEU . 17.7 tp -61.82 89.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.84 122.09 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 5.9 t -134.67 136.73 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -165.96 145.16 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -40.02 158.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -123.57 91.74 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -95.96 133.58 40.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 86.2 m -121.61 -46.38 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -146.19 120.79 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -51.88 128.03 22.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -86.56 118.26 25.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 31.1 t -132.85 118.23 18.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -44.63 144.49 2.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.86 147.6 4.64 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.308 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.4 t -95.72 156.22 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 93.2 p -92.68 -46.35 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.5 m -88.12 148.53 24.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 t -60.47 -60.29 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.36 135.56 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.2 m -65.95 -43.97 86.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 t -107.34 117.74 34.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.62 -125.63 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 t -118.77 78.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.813 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -86.77 147.13 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.62 113.07 0.57 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -119.65 92.5 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER 62.06 39.51 13.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' ASP . 15.7 mtt85 -35.3 -44.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -40.33 136.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.9 mt -125.18 144.3 50.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -100.87 115.33 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.39 135.51 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.51 175.19 17.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.5 mmt 62.51 46.9 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.1 mt -101.17 158.53 15.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.02 156.51 16.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -44.77 -42.26 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.698 0.285 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -50.87 -54.84 20.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -73.69 122.55 22.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 64.1 p -127.82 174.57 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 34.3 t0 -36.88 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' THR . 2.5 tp10 -72.7 -61.16 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.54 -50.82 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -55.33 -39.8 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -69.95 -55.08 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -66.42 -20.07 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttp -87.77 -20.54 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -102.47 -15.17 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.5 mm-40 -62.86 -42.19 76.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.3 Cg_exo -48.01 -15.06 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -119.11 31.18 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.24 176.79 14.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.7 m -93.32 128.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.6 mt -95.01 117.92 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.19 -49.23 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -127.26 148.01 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.0 t -162.63 138.25 7.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.3 m -155.91 153.1 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.3 t -115.45 128.99 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 40.5 mt -76.05 122.14 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -131.07 173.63 10.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.26 -154.29 17.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.75 5.32 4.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -123.06 27.47 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 39.71 32.15 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 62.1 m -105.37 125.05 50.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.7 p -59.06 93.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -38.87 -33.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.36 19.06 2.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.66 140.52 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.87 150.41 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -101.07 136.73 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.27 131.24 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -115.18 118.48 33.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -89.04 162.35 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -66.53 -36.34 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 64.1 p -142.43 147.96 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -50.76 -50.31 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.55 -56.42 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.17 -50.39 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -46.9 -51.61 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 125' ' ' GLN . 6.4 tp60 -55.94 -41.28 74.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.23 -57.63 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -51.31 -63.71 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.6 mt -42.76 -61.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 128' ' ' ILE . 59.7 t-20 -34.96 -44.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 131' ' ' LEU . 93.1 m -100.51 -72.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 127' ' ' ALA . 15.2 mt -35.2 -53.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.3 t60 -35.61 126.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 144' ' ' LEU . 44.4 t 34.59 53.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.4 t -95.86 -74.68 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 143' ' ' SER . 5.5 ptp85 -99.9 179.35 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.3 m -134.32 79.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.2 mt -39.38 142.26 0.61 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.7 126.16 12.18 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.96 43.78 32.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.57 109.43 8.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.0 m -32.06 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -100.1 -175.0 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 135' ' ' ARG . 3.2 p -83.08 160.07 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.0 tp -39.55 122.05 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.85 96.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.48 121.78 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -148.46 169.57 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -67.78 140.33 56.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -90.61 113.25 25.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.8 p30 -116.42 148.1 41.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.0 t -99.89 129.82 46.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -91.46 115.47 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -92.91 -39.52 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -127.28 157.37 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.6 t -97.37 -52.59 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 164.96 157.29 9.57 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.06 -27.37 6.88 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.258 . . . . 0.0 112.3 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.8 m -150.71 141.06 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.4 p -97.78 42.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -72.13 -45.33 60.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 t -113.92 129.99 56.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.82 65.16 3.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.1 m -62.02 119.99 9.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.0 m -92.04 104.69 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -108.08 108.25 2.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 m -154.1 165.36 36.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -93.69 -61.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.71 81.53 1.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -123.57 115.21 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.63 145.71 51.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -90.18 -49.66 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -48.43 126.6 11.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.58 147.84 31.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -100.22 107.57 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.5 t -95.11 146.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.57 -171.51 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.96 39.01 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -94.68 158.81 15.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.9 153.66 16.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -50.18 -41.98 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -43.77 -50.46 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.406 ' C ' HG21 ' A' ' 83' ' ' THR . 24.5 mp0 -67.41 151.06 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.406 HG21 ' C ' ' A' ' 82' ' ' GLN . 19.4 p -134.71 158.71 43.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -40.18 -30.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.75 -50.82 47.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' VAL . 59.2 m-20 -52.85 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ASP . 95.8 t -38.11 -48.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -53.65 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.56 -17.68 64.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.417 ' SD ' ' NH1' ' A' ' 135' ' ' ARG . 26.2 ttp -86.04 -24.21 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -102.8 -13.63 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 18.0 mm-40 -61.64 -42.25 82.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.2 Cg_exo -47.94 -15.16 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.464 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 60.9 m-85 -118.98 31.12 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.92 173.05 13.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.5 m -93.1 123.66 36.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 68.0 mt -91.27 124.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 -36.39 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 100' ' ' CYS . 5.3 tm-20 -137.12 145.68 44.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 99' ' ' GLU . 53.5 t -153.0 131.14 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.5 m -154.28 145.03 22.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.7 t -107.86 144.67 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 53.2 mt -94.01 124.16 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -131.41 173.89 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -87.72 164.42 34.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -45.51 -27.72 3.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -84.33 -48.4 9.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.63 -22.32 2.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.3 m -55.2 111.19 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m -50.52 116.65 2.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -62.91 -36.79 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.29 41.85 0.62 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -163.87 150.93 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -156.28 153.38 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -102.17 125.65 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 72.1 t -115.86 109.33 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -91.24 122.69 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.453 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 11.4 m-85 -95.65 167.59 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -67.99 -34.1 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.8 p -149.12 162.01 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.71 -44.89 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.16 -71.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.27 -50.23 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 118' ' ' PHE . . . -48.55 -44.95 36.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.02 -40.39 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -49.26 -69.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -36.29 -63.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 57.2 mt -39.89 -63.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' ILE . 12.9 t-20 -35.79 -44.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LEU . 48.2 m -96.52 -74.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.464 ' HG ' ' CE2' ' A' ' 94' ' ' PHE . 10.5 mt -34.9 -59.01 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.7 t60 -37.51 117.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t 50.9 45.61 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.6 t -95.94 -75.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.417 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 9.2 ptm180 -100.04 177.51 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 m -132.69 85.13 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.65 152.57 0.89 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.6 126.14 11.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.614 2.209 . . . . 0.0 112.374 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.06 18.23 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.91 112.03 17.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.6 t -32.39 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.3 m -95.65 -174.98 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.2 m -72.83 -175.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.0 tp -70.92 125.72 27.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.25 111.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 t -119.67 109.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.44 141.89 35.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -44.65 132.24 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -73.87 167.93 20.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -103.11 136.64 42.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 85.9 m -132.84 -51.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.21 94.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -100.47 150.81 22.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -174.98 135.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 36.5 p -41.51 154.17 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 71.1 96.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.69 92.22 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.292 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.6 m -140.16 111.87 7.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 80.1 p -111.93 127.17 55.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.3 m -159.81 174.35 14.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' GLY . 68.8 m -99.81 102.73 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 38.2 -147.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.5 p -78.26 118.68 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.3 p -81.7 -39.52 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.43 155.66 9.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.523 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -119.83 -46.07 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -55.75 133.79 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.01 133.33 1.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -102.79 -14.98 16.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -62.81 137.9 58.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -119.53 43.97 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -127.49 138.57 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -120.99 132.66 55.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -88.75 110.1 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.456 ' CG1' HD13 ' A' ' 144' ' ' LEU . 47.4 t -98.0 141.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.17 179.34 18.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.521 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.26 50.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.342 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.79 146.35 29.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.91 149.37 19.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -59.24 -18.98 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -73.56 -42.96 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -69.77 153.18 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -136.97 174.95 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -45.59 -52.56 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -46.4 -53.07 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.22 -69.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.01 -59.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.449 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 8.9 ttm180 -51.49 -55.74 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -61.53 -23.19 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.7 ttp -86.01 -20.46 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.419 ' C ' ' HD2' ' A' ' 93' ' ' PRO . 4.4 m-85 -99.94 -19.29 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 6.9 mm-40 -57.65 -42.48 95.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.96 -14.86 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 69.4 m-85 -118.81 31.17 6.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.74 176.39 14.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 m -92.54 139.1 30.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.69 0.281 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 97.0 mt -99.97 120.66 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.63 -39.61 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -136.74 140.64 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 45.4 t -152.96 118.54 5.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.4 m -135.64 144.91 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.66 136.3 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.407 HD12 ' CE2' ' A' ' 115' ' ' PHE . 25.3 mt -92.93 130.22 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -141.91 -178.85 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.73 -149.25 5.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.54 147.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 50.14 33.1 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.31 34.61 26.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 46.4 p -75.48 114.82 14.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.146 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 t -62.61 109.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -56.52 -25.78 52.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.01 30.93 6.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.84 138.49 16.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.09 151.07 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.407 ' CE2' HD12 ' A' ' 103' ' ' LEU . 42.0 m-85 -104.08 116.55 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.8 t -107.05 137.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -119.13 131.1 55.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -101.65 158.46 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.06 -40.17 92.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -138.81 146.14 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -50.69 -46.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.14 -53.04 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.51 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.56 -45.92 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -52.13 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.04 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.07 -65.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 129' ' ' ASN . 54.2 mt -44.12 -55.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 128' ' ' ILE . 14.3 t-20 -34.98 -40.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 131' ' ' LEU . 70.6 m -109.63 -68.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 130' ' ' THR . 13.0 mt -35.81 -48.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' A' ' 146' ' ' VAL . 37.2 t60 -54.03 108.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t 64.11 47.48 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 92.3 p -99.87 -74.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.401 ' CD ' HD23 ' A' ' 137' ' ' LEU . 12.9 ptp180 -100.02 159.99 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 42.1 m -120.71 75.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 136' ' ' THR . 75.7 mt -35.12 152.92 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.588 0.709 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.86 121.01 7.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 33.19 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.07 115.09 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.731 0.3 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 140' ' ' ALA . 63.2 m -32.39 -76.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 37.2 m -100.08 -177.38 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' LEU . 1.3 t -76.19 174.91 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.456 HD13 ' CG1' ' A' ' 75' ' ' VAL . 28.8 tp -54.57 108.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.47 100.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.432 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 11.1 t -115.1 108.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -144.9 144.33 31.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -38.93 145.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.77 120.41 20.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -93.7 133.98 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 88.2 m -143.42 141.46 30.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -139.01 148.85 43.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.21 140.21 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -59.58 122.97 15.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 92.8 p -97.66 173.34 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 148.46 88.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.07 105.44 2.07 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.9 p -130.71 142.12 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 46.2 m -101.68 -49.26 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 m -48.09 127.3 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.9 m -133.73 174.63 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.89 171.41 46.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.2 m -118.53 -55.55 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.2 t -70.86 138.16 50.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -118.51 -138.89 5.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.4 p -96.96 122.42 39.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -99.56 122.91 43.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.39 81.14 0.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -51.51 -48.92 62.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -45.23 148.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -86.97 -55.58 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 19.6 ttpt -40.51 141.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.8 mt -125.56 146.45 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -99.16 119.39 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -110.79 138.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.37 -173.97 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.0 mmt 59.44 33.86 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.13 157.84 16.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.16 155.66 16.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -48.26 -40.84 26.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -50.68 -54.37 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.401 ' HG3' ' CD1' ' A' ' 137' ' ' LEU . 32.5 mm-40 -72.9 142.23 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ASP . 42.6 p -139.81 169.8 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 5.0 t70 -36.56 -37.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.99 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 90' ' ' MET . 5.9 m-20 -59.26 -55.92 28.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.37 -54.76 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -52.51 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -61.41 -19.93 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.478 ' CB ' ' O ' ' A' ' 86' ' ' ASP . 21.1 ttp -85.35 -22.14 28.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CE1' HD13 ' A' ' 131' ' ' LEU . 3.1 m-85 -100.38 -15.74 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 19.2 mt-10 -59.73 -42.2 90.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.6 Cg_exo -47.94 -14.68 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.487 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 60.5 m-85 -118.6 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 128.1 165.8 11.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -83.36 131.24 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 81.3 mt -94.77 132.87 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -101.86 -44.18 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -132.54 133.54 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 38.8 t -148.38 116.41 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -134.97 135.7 41.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.7 t -98.99 149.52 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.31 119.71 33.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -122.33 172.79 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.86 -149.41 23.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.09 -39.25 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.08 -47.66 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 129.64 42.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 110' ' ' SER . 67.6 m -109.65 139.32 44.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.424 ' N ' HG23 ' A' ' 109' ' ' THR . 1.4 t -65.31 97.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -50.61 -25.8 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.67 33.11 1.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 p -165.3 147.98 7.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.35 157.11 36.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.545 ' CD1' ' HE3' ' A' ' 72' ' ' LYS . 48.3 m-85 -105.03 130.38 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 117' ' ' LYS . 65.0 t -119.39 135.52 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.411 ' N ' HG11 ' A' ' 116' ' ' VAL . 41.2 tttm -119.18 128.3 54.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.468 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 25.5 m-85 -98.1 164.7 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.85 -25.2 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.8 p -148.71 155.68 41.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -59.31 -56.63 19.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.18 -55.46 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -50.53 -57.65 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 118' ' ' PHE . . . -40.73 -61.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.35 -51.19 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -40.25 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -40.83 -61.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.5 mt -47.49 -45.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -47.48 -39.09 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' LEU . 54.5 m -108.28 -66.0 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 94' ' ' PHE . 11.7 mt -35.13 -43.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 33.4 t60 -47.07 121.12 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' HIS . 21.9 t 36.87 53.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -99.95 -69.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -99.68 172.52 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -127.46 81.17 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' A' ' 82' ' ' GLN . 88.4 mt -41.16 143.44 0.77 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -46.89 123.39 7.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.92 53.52 14.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.98 111.58 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 111.064 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 18.9 m -32.4 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.5 m -100.03 -175.33 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 m -73.06 176.85 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.07 103.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.58 115.54 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.99 132.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -156.64 -179.3 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -78.55 149.73 32.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.57 79.34 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -72.07 149.26 45.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 17.8 p -131.26 117.98 19.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -65.05 141.75 58.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.75 159.03 24.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -117.92 131.1 56.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.2 t -163.59 154.32 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.74 144.27 48.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -78.84 87.39 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.282 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 159' ' ' SER . 10.5 m -92.1 92.46 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 158' ' ' SER . 18.2 t -35.74 -56.3 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -166.81 155.35 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 t -154.76 130.21 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -108.09 -153.68 17.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.9 p -150.94 140.24 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.3 p -154.12 165.27 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -178.52 70.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t -73.53 146.89 44.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -155.66 133.86 11.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.61 145.98 16.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -96.37 -63.96 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -95.94 139.12 32.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 39.7 mtt85 -98.89 -49.65 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.533 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 27.6 ttmt -35.76 138.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.9 mt -118.32 141.43 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -95.56 113.05 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.6 t -108.18 129.6 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.59 -171.02 14.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.6 mmt 52.83 42.21 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 mt -96.6 150.71 20.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.79 149.03 17.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -40.85 -43.12 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.713 0.292 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -48.64 -56.18 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -66.19 122.08 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' ASP . 68.0 p -121.22 166.69 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.92 -28.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.6 tp10 -73.98 -43.42 58.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' THR . 39.1 m-20 -65.33 -60.83 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.449 HG12 ' CG2' ' A' ' 116' ' ' VAL . 55.5 t -46.33 -55.71 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 14.9 ttt180 -51.39 -63.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -59.32 -21.75 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttp -88.79 -19.01 26.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 87' ' ' VAL . 3.6 m-85 -103.28 -17.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.4 mt-10 -62.58 -42.21 77.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.96 -15.3 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -119.03 31.1 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.55 170.41 12.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.3 m -91.84 126.89 37.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 55.8 mt -91.34 126.16 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.42 -30.92 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -141.12 138.8 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.0 t -148.18 128.11 13.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 m -155.69 141.72 18.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.48 150.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.0 mt -99.6 119.58 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -112.83 -178.71 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -109.93 -165.22 19.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -47.1 -62.92 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.04 -45.55 92.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.87 16.78 2.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.7 p -82.59 142.72 31.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.823 0.344 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.0 t -54.8 98.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -46.14 -32.37 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.13 16.05 5.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -151.39 150.49 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.46 163.3 37.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.1 m-85 -112.7 131.53 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.449 ' CG2' HG12 ' A' ' 87' ' ' VAL . 98.6 t -124.39 118.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.8 158.99 15.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.71 -31.72 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 46.4 p -140.59 158.74 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -65.78 -43.78 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.41 -43.42 44.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.25 -49.92 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.05 -42.6 39.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -69.57 -39.2 77.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.43 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -54.12 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 61.3 mt -44.34 -55.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 128' ' ' ILE . 57.9 t-20 -34.95 -40.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 131' ' ' LEU . 94.3 m -107.57 -69.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 130' ' ' THR . 13.7 mt -35.54 -45.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.448 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 69.3 t60 -50.31 119.85 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.4 p 47.3 47.41 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.464 ' HG ' ' N ' ' A' ' 135' ' ' ARG . 1.9 t -96.46 -75.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.464 ' N ' ' HG ' ' A' ' 134' ' ' SER . 4.8 ptp180 -98.81 168.9 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.1 m -126.77 80.25 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.6 152.27 0.54 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.25 130.51 17.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.02 17.52 53.41 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -125.61 112.08 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.9 m -32.4 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.3 m -95.1 -175.43 3.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.0 m -70.05 -178.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.98 113.48 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.1 t -84.1 110.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.41 119.22 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -146.78 -177.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -78.25 156.2 29.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 150' ' ' ASP . . . -75.5 159.0 31.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 149' ' ' ALA . 1.3 m-20 35.45 51.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 62.3 m -64.49 117.58 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -51.2 -44.54 61.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -67.92 112.32 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -104.89 160.0 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 10.9 t -45.16 130.41 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -104.4 142.12 15.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.54 125.62 9.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.7 m -132.51 154.11 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 88.3 p -154.78 134.13 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.8 p -126.35 148.09 49.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -123.52 113.24 18.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.25 163.71 11.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.6 t -115.33 125.34 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 t -156.12 133.54 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.73 -146.22 13.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.5 m -107.15 98.33 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -87.35 156.13 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 121' ' ' HIS . . . -156.29 87.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . 81.9 mt-10 -46.42 -53.66 10.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' GLU . 47.5 m-20 -34.51 135.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -101.39 -43.92 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 8.3 ttpt -47.75 136.79 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.421 HD22 ' CD1' ' A' ' 128' ' ' ILE . 79.8 mt -124.23 134.54 53.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -90.68 121.35 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.51 133.24 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.15 -177.66 14.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 mmt 59.82 32.78 21.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.5 mt -86.98 165.72 15.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.14 148.51 18.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.52 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -53.48 -46.01 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -43.74 -50.7 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.09 156.21 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 85' ' ' GLU . 30.2 p -135.16 156.54 48.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.508 ' CG ' ' CG2' ' A' ' 102' ' ' VAL . 0.5 OUTLIER -41.51 -25.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 83' ' ' THR . 12.9 mt-10 -73.5 -50.93 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -50.21 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 91' ' ' PHE . 99.2 t -38.77 -50.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 61.2 ttt-85 -50.65 -66.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -59.78 -20.31 55.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttp -85.42 -21.62 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CD1' HG11 ' A' ' 87' ' ' VAL . 3.9 m-85 -104.56 -16.89 14.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.9 mt-10 -58.31 -42.2 93.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -48.02 -14.94 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -118.81 30.97 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.96 154.78 8.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.439 HG21 ' N ' ' A' ' 97' ' ' ILE . 29.9 m -72.55 135.47 45.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.176 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 59.3 mt -98.27 117.32 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.424 ' OD1' ' NE2' ' A' ' 119' ' ' GLN . 12.1 m-20 -76.23 -50.69 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -130.69 149.3 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.69 116.46 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -136.67 135.09 37.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.508 ' CG2' ' CG ' ' A' ' 84' ' ' ASP . 74.7 t -96.14 147.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -95.22 129.24 42.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -133.43 -176.47 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.22 -173.67 15.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.53 -47.03 13.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.319 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 109' ' ' THR . 23.9 t0 -86.08 40.1 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 107' ' ' ASP . . . 36.4 31.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' ASP . 23.8 m -88.38 139.67 30.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 t -69.02 96.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -48.43 -28.01 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.38 33.18 2.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.38 150.3 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.878 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.21 165.58 30.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.48 ' CD1' ' HE3' ' A' ' 72' ' ' LYS . 20.9 m-85 -116.16 124.92 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.66 121.4 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -105.73 108.86 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -78.7 165.44 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.424 ' NE2' ' OD1' ' A' ' 98' ' ' ASP . 6.1 tp-100 -73.97 -28.77 61.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.3 p -145.7 155.13 42.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 68' ' ' GLY . 10.6 t60 -57.71 -57.24 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.55 -56.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -54.5 -43.33 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.7 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -67.54 -39.72 85.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -55.22 27.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -51.46 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 74.3 mt -46.02 -58.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 41.4 t30 -35.24 -38.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' LEU . 71.9 m -107.2 -70.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 127' ' ' ALA . 13.5 mt -36.86 -41.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.1 t60 -50.41 123.75 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t 41.08 51.48 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.0 p -99.86 -74.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -98.9 -177.27 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.9 m -139.23 105.92 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 42.2 mt -71.09 143.5 88.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.12 121.64 5.44 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.737 2.292 . . . . 0.0 112.345 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.34 42.9 11.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.03 108.07 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 36.5 m -31.42 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.4 p -99.54 -175.07 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.9 m -77.9 156.43 30.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 143' ' ' SER . 11.9 tp -35.02 106.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.21 104.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.25 126.23 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -156.84 153.82 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -50.0 142.36 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.57 154.98 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -100.94 112.95 25.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 152' ' ' GLU . 5.2 t -116.78 172.22 7.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 151' ' ' THR . 43.4 mt-10 34.62 42.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -1.19 50.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.99 130.2 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 20.4 t -168.85 123.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -161.71 143.42 8.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.31 36.02 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.3 m -146.56 157.35 43.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 32.6 t -139.8 138.28 35.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -164.67 166.64 19.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 p -115.81 169.47 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -44.5 106.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.4 p -113.46 149.44 34.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.2 t -58.05 -62.99 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.6 -143.49 17.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -108.4 165.12 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -170.85 174.89 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.06 160.75 11.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -84.01 94.36 8.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -162.8 111.83 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' NE ' ' HE3' ' A' ' 117' ' ' LYS . 5.2 ptt180 -76.58 -46.85 24.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.0 ttpt -36.56 142.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.9 mt -128.01 149.78 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -105.13 113.63 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 t -103.25 139.62 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.87 -176.15 14.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 56.04 45.14 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 mt -99.4 161.64 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.02 155.8 16.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -59.19 -17.5 28.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.733 0.301 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -75.2 -49.05 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.29 138.06 53.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.8 t -131.55 172.42 12.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.49 -48.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.04 -60.6 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 90' ' ' MET . 22.2 m-20 -51.07 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.8 t -45.49 -59.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.466 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 57.8 ttt180 -49.38 -61.46 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -59.71 -22.81 62.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 86' ' ' ASP . 17.4 ttp -86.39 -19.97 28.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -104.33 -11.9 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 20.9 mm-40 -63.75 -42.25 70.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -47.97 -14.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 92' ' ' GLU . 66.9 m-85 -118.79 31.15 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.71 169.41 12.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 97' ' ' ILE . 57.7 m -89.24 133.88 34.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 111.19 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 53.0 mt -98.34 118.28 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -43.02 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -139.85 159.39 42.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.6 t -164.82 120.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -129.31 126.66 39.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -96.32 137.92 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 55.6 mt -88.89 133.6 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -136.99 176.15 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.84 -164.1 37.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.444 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.03 -10.28 17.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -104.3 -43.7 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.24 -28.89 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.435 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.4 m -49.1 135.54 16.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t -70.03 117.05 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -56.48 -39.28 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.09 38.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 7.2 p -170.93 146.22 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.32 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -97.52 117.38 31.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.4 t -103.86 141.59 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' HE3' ' NE ' ' A' ' 71' ' ' ARG . 24.2 tttp -122.39 115.45 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -88.83 164.88 15.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.17 -37.62 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' HIS . 82.1 p -144.54 136.57 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 120' ' ' THR . 7.3 t60 -35.86 -48.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -43.71 -72.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -37.37 -53.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -41.74 -43.81 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -56.1 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.89 -46.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -58.52 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 75.6 mt -47.96 -58.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' ILE . 24.5 t30 -34.47 -39.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' LEU . 91.1 m -107.54 -72.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 130' ' ' THR . 12.0 mt -34.38 -39.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 32.2 t60 -55.46 111.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.6 t 58.5 49.32 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 m -99.96 -74.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.403 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 18.5 ptp180 -99.5 171.31 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.6 m -128.39 72.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 136' ' ' THR . 43.1 mt -34.84 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.06 126.98 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.5 45.3 18.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.56 109.08 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.8 m -32.17 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.8 t -100.2 -174.98 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.2 m -70.82 176.65 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.46 109.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.9 t -82.41 109.98 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 4.1 t -124.87 124.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -156.91 148.26 22.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -42.03 162.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -125.36 107.14 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 151' ' ' THR . 11.5 t0 -88.08 -63.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 150' ' ' ASP . 14.5 t -35.42 148.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.73 -48.69 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -143.59 146.75 33.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.16 -52.81 7.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 9.6 t -129.49 145.84 51.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -162.42 -145.95 4.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.88 -175.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.405 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.4 p -135.45 153.49 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.8 m -162.63 140.61 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -94.95 156.98 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -174.17 156.8 2.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.57 -163.06 27.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.9 m -82.02 151.33 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.0 m -111.23 -46.21 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.49 114.08 3.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.1 p -102.16 90.29 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -124.54 103.28 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.22 113.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.89 94.59 5.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.27 113.69 13.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -68.95 -50.19 51.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -45.94 126.04 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.2 mt -111.48 146.73 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -98.92 110.18 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.01 147.74 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.29 -179.25 22.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.446 ' CG ' HG23 ' A' ' 145' ' ' VAL . 20.4 mmt 60.67 38.09 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.05 171.54 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.81 169.79 14.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -4.35 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.692 0.282 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -96.88 -54.6 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -45.83 154.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 p -139.86 177.54 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.28 -27.37 22.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -69.98 -55.39 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.4 -61.48 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 79.8 t -49.27 -40.55 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 16.0 ttm180 -65.26 -61.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -61.0 -20.99 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.8 ttp -87.48 -19.9 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 87' ' ' VAL . 3.2 m-85 -101.73 -12.11 18.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 22.8 mt-10 -66.11 -42.14 48.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.8 Cg_exo -47.95 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' A' ' 92' ' ' GLU . 61.2 m-85 -118.78 31.18 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.27 177.0 14.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -91.63 137.89 32.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 67.2 mt -98.47 126.86 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.57 -32.13 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -152.51 160.44 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.4 t -169.99 123.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -140.83 139.1 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 103' ' ' LEU . 65.4 t -95.82 144.34 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.486 HD12 ' CE2' ' A' ' 115' ' ' PHE . 35.9 mt -98.45 121.48 40.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -124.24 168.7 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -92.03 178.51 40.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.8 -43.34 19.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.735 2.29 . . . . 0.0 112.306 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.52 -41.77 88.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 119.92 4.28 11.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 110' ' ' SER . 94.2 m -81.02 138.19 36.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 109' ' ' THR . 32.2 t -54.81 120.47 6.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -72.62 -27.84 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.85 28.0 3.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -157.96 148.64 20.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.06 158.21 43.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.486 ' CE2' HD12 ' A' ' 103' ' ' LEU . 38.3 m-85 -105.85 120.4 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.1 t -114.27 115.11 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -102.96 113.41 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -79.89 174.41 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.413 ' C ' HG23 ' A' ' 120' ' ' THR . 6.3 tt0 -73.81 -38.79 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 119' ' ' GLN . 77.4 p -142.23 148.64 38.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 11.6 t60 -41.71 -64.04 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -34.48 -59.47 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.33 -47.3 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.59 74.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -64.99 -39.19 93.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.19 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -39.92 -58.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 129' ' ' ASN . 68.9 mt -45.1 -61.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' ILE . 3.0 m120 -35.43 -42.53 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LEU . 18.5 m -100.15 -73.83 0.62 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 127' ' ' ALA . 11.6 mt -34.4 -66.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 131' ' ' LEU . 56.8 t60 -35.99 110.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.8 t 59.44 47.3 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 131' ' ' LEU . 5.4 t -98.93 -75.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -99.96 -175.83 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.8 m -127.9 74.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 136' ' ' THR . 70.6 mt -34.91 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.551 0.691 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 120.69 7.1 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.97 24.71 29.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -128.63 108.07 10.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 140' ' ' ALA . 21.0 m -31.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.0 m -91.04 -174.99 4.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.9 m -71.34 174.45 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.2 137.82 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.446 HG23 ' CG ' ' A' ' 77' ' ' MET . 18.3 t -106.03 118.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.1 t -132.63 107.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -140.95 151.29 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -49.05 150.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -97.06 179.9 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -112.01 178.95 4.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 88.2 m -87.24 147.67 25.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -74.71 -51.17 15.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -153.61 162.82 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.92 109.08 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 94.4 p -108.37 128.42 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -145.7 -163.89 10.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.07 101.33 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.294 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 m -75.69 146.63 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 74.4 m 49.03 42.18 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -135.12 153.77 51.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.6 p -108.93 150.14 28.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.55 75.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.1 p -47.39 172.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.888 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -151.1 172.39 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.81 103.38 2.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 p -152.47 165.48 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -118.25 -53.86 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.17 46.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -52.23 118.64 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -91.12 165.86 13.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -93.21 -37.61 11.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 15.5 ttmt -49.89 149.43 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.3 mt -132.19 134.16 45.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -89.79 121.03 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 141.36 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.25 -170.83 12.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.38 38.18 24.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.5 mt -90.01 163.68 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -116.09 163.05 12.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -63.79 -43.76 95.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -50.31 -54.64 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' OE1' ' CG ' ' A' ' 86' ' ' ASP . 43.6 mm-40 -62.23 151.81 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -137.14 -177.14 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -56.69 -30.74 63.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.65 -44.88 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.438 ' CG ' ' OE1' ' A' ' 82' ' ' GLN . 47.5 m-20 -62.27 -73.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.425 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 96.1 t -41.84 -34.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -66.08 -62.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -66.26 -16.66 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.9 ttp -85.71 -23.16 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 87' ' ' VAL . 3.8 m-85 -99.77 -15.17 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.2 mt-10 -60.5 -42.19 87.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 63.7 Cg_exo -47.98 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.435 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 63.8 m-85 -118.83 31.1 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 126.52 154.94 8.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -76.87 116.86 17.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.299 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.3 127.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.25 -27.06 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -152.85 149.78 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 43.6 t -158.69 119.21 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.7 m -143.03 129.94 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.7 t -87.56 150.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 115' ' ' PHE . 39.6 mt -101.35 122.96 44.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -132.01 169.03 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -74.66 -162.17 9.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.24 -22.23 11.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.355 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.49 -42.56 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 140.64 -18.14 2.82 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.4 m -55.64 117.53 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 111.16 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 t -54.66 124.3 15.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -72.22 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.53 42.55 0.8 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 p -169.05 156.13 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.55 154.69 32.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.537 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.2 m-85 -105.41 113.13 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.53 125.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -107.87 137.22 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -106.95 160.33 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -61.69 -28.71 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.9 p -150.33 170.81 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' ALA . 73.3 t60 -68.59 -62.36 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.2 -46.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.28 -50.08 67.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.437 HE22 ' ND2' ' A' ' 129' ' ' ASN . 1.5 tm0? -65.62 -40.63 92.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -48.45 -50.24 32.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -53.67 -55.48 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 148' ' ' PHE . 82.3 mt -47.43 -58.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.437 ' ND2' HE22 ' A' ' 125' ' ' GLN . 26.1 m120 -35.46 -40.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 77.1 m -105.35 -71.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 127' ' ' ALA . 9.9 mt -34.78 -47.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.438 ' ND1' ' O ' ' A' ' 146' ' ' VAL . 15.7 t60 -49.61 118.23 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 t 50.82 47.17 25.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 t -98.51 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 176.03 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -133.38 81.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 37.8 mt -41.03 142.21 0.88 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.74 120.24 4.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.51 48.71 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.83 106.89 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 140' ' ' ALA . 41.3 t -31.23 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.7 m -98.75 -174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.8 m -74.77 172.44 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.65 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.05 102.5 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.438 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 37.8 t -115.85 117.45 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 148' ' ' PHE . 6.1 pttm -152.93 138.86 18.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.441 ' CE1' ' CD1' ' A' ' 128' ' ' ILE . 55.3 m-85 -37.34 152.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -99.44 166.19 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.63 115.78 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 152' ' ' GLU . 38.8 m -127.5 141.73 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 151' ' ' THR . 17.1 mt-10 -116.43 113.83 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -110.42 137.6 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.488 ' N ' ' CD ' ' A' ' 154' ' ' GLU . 2.4 pm0 -141.2 148.89 40.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.9 t -116.05 164.04 15.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -120.66 96.77 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.47 134.42 18.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 53.4 m -154.17 151.93 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.3 m -161.74 173.52 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -96.71 83.69 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 p -94.63 165.51 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.99 80.78 0.91 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.1 t -87.34 159.98 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.91 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -71.41 147.48 47.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -123.08 -133.96 4.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 m -88.23 167.26 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.812 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -71.16 114.18 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.16 -86.88 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 57.75 36.07 26.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -112.98 93.32 4.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -52.65 -42.08 64.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -56.69 147.78 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.0 mt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -94.17 117.16 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 t -104.76 138.93 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.73 176.35 19.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 mmt 62.08 44.04 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 144' ' ' LEU . 72.6 mt -100.28 162.94 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -124.88 157.59 19.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.431 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -48.54 -35.94 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -56.57 -45.71 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' OE1' ' N ' ' A' ' 82' ' ' GLN . 8.4 mp0 -75.55 132.06 40.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' ASP . 14.2 t -134.51 169.62 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.5 p-10 -36.77 -39.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -63.6 -54.62 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.5 -65.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.85 -50.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -53.37 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.78 -19.86 60.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 30.1 ttp -84.12 -23.19 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 131' ' ' LEU . 3.1 m-85 -101.77 -12.61 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.8 mt-10 -60.71 -42.22 86.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.76 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.97 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 65.7 m-85 -118.63 30.93 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.25 161.39 11.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.4 m -76.1 132.56 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.52 125.48 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.28 -39.71 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 44.3 tp10 -128.88 152.91 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 44.1 t -170.62 115.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -133.44 135.73 44.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.89 126.5 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.6 mt -82.48 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -141.35 166.15 25.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.75 -148.39 7.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.11 155.76 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 108' ' ' GLY . 1.0 OUTLIER 46.19 40.96 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' ASP . . . 36.1 41.07 0.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.6 m -92.9 130.19 38.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -65.39 111.8 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -59.36 -21.43 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.41 39.57 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -163.83 149.65 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.345 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -159.14 154.45 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -102.54 133.27 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.0 t -124.56 124.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -106.65 145.43 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -115.82 149.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -49.79 -31.36 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.6 p -152.8 142.18 21.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' ALA . 10.0 t60 -42.4 -51.01 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -38.03 -62.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 124' ' ' ALA . 53.0 mm-40 -48.57 -59.02 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' GLU . . . -36.8 -54.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -49.05 -58.07 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.57 -63.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -41.62 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.7 mt -40.6 -64.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 9.5 t-20 -34.47 -38.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 m -102.49 -71.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.559 ' HG ' ' CE2' ' A' ' 94' ' ' PHE . 16.4 mt -39.04 -46.34 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.0 t60 -45.92 117.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t 45.17 53.05 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 88.7 p -96.65 -73.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -99.51 171.94 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.3 m -125.35 87.31 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.0 mt -48.55 153.4 1.38 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.77 125.29 10.93 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 18.41 50.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.52 112.12 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.2 m -32.72 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.4 p -93.37 -176.91 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 m -76.77 174.23 10.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.414 ' CD1' HD23 ' A' ' 78' ' ' LEU . 24.1 tp -55.02 121.22 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.24 102.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.6 t -112.59 122.57 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -151.99 161.82 42.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -60.37 142.47 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -88.36 139.14 30.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -157.65 142.02 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.0 t -103.33 119.64 39.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.88 174.72 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -105.0 171.94 7.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -106.9 140.74 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 51.9 p -132.84 115.2 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -133.65 90.71 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.13 13.14 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.6 t -52.07 -50.41 61.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -119.82 -56.0 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -91.84 84.62 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.1 p -62.96 118.64 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.14 101.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.8 p -94.32 97.76 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.903 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.6 m -59.15 122.96 15.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.88 124.78 5.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 t -113.61 -51.54 2.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -127.96 115.01 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.63 89.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -119.08 59.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -149.95 165.28 33.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 -101.25 -29.17 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -61.64 142.75 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 128' ' ' ILE . 26.7 mt -124.92 138.02 54.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -88.87 123.29 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.6 t -116.19 145.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.18 -178.1 18.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.5 mmt 57.75 35.65 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.9 mt -88.63 152.78 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.68 150.28 18.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -40.64 -29.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.6 -49.01 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -73.6 110.85 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -121.27 176.05 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.01 -58.0 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -55.86 -65.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.5 t -39.79 -54.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 25.3 ttt180 -51.83 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -62.59 -20.23 64.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.8 ttp -86.83 -23.06 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -99.47 -17.0 18.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 5.7 mm-40 -59.99 -42.15 88.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -48.0 -14.71 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.407 ' H ' ' C ' ' A' ' 92' ' ' GLU . 54.1 m-85 -118.7 31.1 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.05 -179.37 16.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 m -95.47 137.65 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.415 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 64.8 mt -99.36 126.39 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.71 -36.74 16.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -137.65 154.72 49.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.7 t -159.8 137.3 9.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.1 m -159.7 138.58 10.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.6 t -109.21 143.25 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 45.0 mt -92.19 123.29 35.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -128.88 179.75 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -92.26 -149.79 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -76.93 -48.85 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.81 -45.89 80.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.66 32.25 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.6 m -98.83 132.06 44.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.7 t -60.93 96.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -44.46 -39.87 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.45 0.38 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.0 p -169.03 147.69 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -152.75 156.79 39.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.471 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 60.2 m-85 -109.36 128.64 55.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.68 136.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -118.06 117.06 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.536 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 14.8 m-85 -89.34 165.49 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.402 ' C ' HG22 ' A' ' 120' ' ' THR . 15.1 tt0 -69.02 -34.93 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.402 HG22 ' C ' ' A' ' 119' ' ' GLN . 81.9 p -141.64 140.73 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -44.52 -38.75 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.11 -59.58 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -50.23 -40.99 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.536 ' HA ' ' CD2' ' A' ' 118' ' ' PHE . . . -57.9 -40.09 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -68.98 -45.51 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.0 51.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -87.33 -50.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 73' ' ' LEU . 41.8 mt -61.82 -20.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -25.09 38.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 134' ' ' SER . 98.4 m -110.94 -10.88 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 132' ' ' HIS . 14.0 mt -100.52 -59.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 133' ' ' SER . 63.3 t60 -36.27 126.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' HIS . 5.6 t 33.53 40.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 130' ' ' THR . 46.0 m -100.19 -72.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.78 161.95 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.0 m -123.02 96.08 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.6 mt -48.41 141.56 9.05 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.88 113.72 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 82.32 46.54 6.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.83 108.94 8.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.9 m -32.22 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 m -99.62 165.79 11.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.4 m -60.05 161.81 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.26 116.63 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.5 t -86.01 116.96 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 17.3 t -134.63 131.57 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -166.64 156.66 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -53.12 123.34 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -49.37 124.19 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -88.24 38.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 6.8 t -62.33 -29.98 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -56.01 129.71 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.4 155.46 37.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 58.64 42.02 21.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 48.0 t -135.14 111.23 9.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -138.1 89.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.08 -38.05 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.6 p -59.38 158.72 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.7 p -103.28 -56.49 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -154.5 149.36 26.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.4 t -72.18 122.86 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -50.22 155.85 2.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 p -96.07 146.14 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.5 m -160.08 162.14 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.78 126.76 4.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -48.95 -60.33 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 70.57 42.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.52 45.58 1.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 38.82 45.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -128.58 156.1 43.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.809 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 72' ' ' LYS . 29.4 mtm-85 -128.74 -49.27 1.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.9 ttpm? -36.73 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 47.1 mt -136.32 148.0 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -99.68 122.26 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -113.5 121.61 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.88 -176.13 16.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.3 mmt 61.32 32.95 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.8 mt -89.01 161.9 16.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.89 156.62 16.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -51.99 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.701 0.286 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -54.01 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.91 147.43 52.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -138.84 177.6 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.14 -47.73 23.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.29 -51.09 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -59.49 -68.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.6 t -41.17 -49.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.84 -58.48 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -63.37 -20.54 65.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttp -86.94 -21.26 26.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -99.27 -15.07 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.6 mt-10 -62.53 -42.14 77.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -14.64 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 71.5 m-85 -118.61 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.42 175.81 14.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 m -92.18 134.99 34.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.108 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 48.1 mt -96.96 123.36 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -77.85 -45.42 24.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 10.9 tp10 -142.46 155.45 45.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.9 t -160.84 131.1 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.6 m -147.86 135.84 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.179 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 64.8 t -98.91 137.44 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 115' ' ' PHE . 41.2 mt -86.81 146.93 26.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 108' ' ' GLY . 60.0 mtm-85 -140.98 168.89 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.43 ' N ' ' HG2' ' A' ' 111' ' ' LYS . . . -86.26 -149.44 13.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.31 -47.37 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.39 -41.18 98.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.406 ' C ' ' HD2' ' A' ' 104' ' ' ARG . . . 120.1 36.79 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.0 t -111.53 151.32 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.6 t -60.38 96.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 105' ' ' GLY . 4.0 mmmm -48.2 -29.38 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.25 28.54 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 22.9 p -158.75 148.38 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.28 157.72 43.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 103' ' ' LEU . 23.0 m-85 -113.04 128.89 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.0 t -119.93 129.96 74.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -114.98 105.83 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -75.86 151.75 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.92 -35.8 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.0 p -144.52 166.61 24.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 8.2 t60 -63.73 -53.47 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.43 -67.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -48.7 -54.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -41.67 -39.14 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -72.97 -38.18 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.68 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -50.69 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.481 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 82.6 mt -42.02 -58.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.8 -39.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 131' ' ' LEU . 76.3 m -101.81 -72.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.546 ' HG ' ' CE2' ' A' ' 94' ' ' PHE . 17.4 mt -35.44 -52.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.1 t60 -40.72 118.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 25.0 t 51.76 47.69 24.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -99.1 -73.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.424 ' NE ' HD23 ' A' ' 137' ' ' LEU . 16.2 ptm180 -99.69 172.93 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 m -128.21 76.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.424 HD23 ' NE ' ' A' ' 135' ' ' ARG . 50.4 mt -40.47 152.34 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.54 129.51 15.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.65 16.86 56.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -123.36 111.34 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.4 t -32.44 -75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 65.8 m -95.45 178.04 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.5 p -62.29 -177.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.9 tp -70.83 131.01 43.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 99.3 t -102.64 99.0 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.71 124.5 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -153.84 -179.59 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -72.8 154.21 40.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -96.16 121.14 37.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.11 130.21 36.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 69.4 p -88.88 167.37 13.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -157.43 122.31 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -161.52 131.22 4.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -71.28 140.67 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.8 m -92.37 170.02 10.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -157.86 95.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.96 -42.74 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 94.3 p -141.53 134.99 29.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 58.0 p -124.91 147.32 48.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 49.33 42.31 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.834 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -115.25 125.36 53.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.33 146.8 18.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -138.07 124.79 21.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 m -125.97 173.38 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.17 81.92 1.39 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -92.01 119.93 32.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.2 ttm-85 -77.14 111.02 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' O ' ' CD1' ' A' ' 148' ' ' PHE . . . 159.22 61.41 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -81.49 99.19 8.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -172.56 128.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -44.14 -51.62 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HE2' ' CG ' ' A' ' 115' ' ' PHE . 35.2 tttt -51.5 121.43 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.79 139.11 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -94.06 113.29 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -104.17 138.5 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -169.14 11.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.1 mmt 53.44 37.61 26.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.08 158.72 15.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.49 155.32 16.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -56.03 -45.61 79.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -47.21 -63.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -45.48 151.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.7 p -132.76 176.88 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -35.67 60.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -64.71 -43.08 94.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.17 -74.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -41.03 -48.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.448 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 22.4 ttp180 -54.53 -68.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.27 -21.64 35.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttp -83.73 -23.06 31.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -102.34 -8.71 20.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 46.6 mt-10 -64.74 -42.19 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.91 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.443 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 64.5 m-85 -118.57 31.11 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.75 166.16 12.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 97' ' ' ILE . 6.0 m -82.47 135.6 35.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.097 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 73.6 mt -96.16 119.9 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.45 -43.62 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -137.88 140.43 40.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 t -151.46 124.41 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.2 m -146.63 136.97 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.49 125.27 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.58 112.52 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -119.55 178.69 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.73 -170.51 17.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.32 -64.55 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.286 . . . . 0.0 112.356 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -63.64 -38.74 92.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 119.96 36.99 0.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.3 p -88.67 124.65 34.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.1 m -60.1 93.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -49.8 -20.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.72 27.27 8.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.36 138.32 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -140.61 144.59 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CG ' ' HE2' ' A' ' 72' ' ' LYS . 40.1 m-85 -96.56 125.69 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 56.7 t -116.43 119.84 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -106.2 101.93 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -70.43 170.07 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.84 -37.14 86.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 69.5 p -146.33 173.71 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 122' ' ' ALA . 12.0 t60 -61.15 -62.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.61 -63.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -44.85 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.83 -37.97 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.71 -49.59 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.2 -54.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.25 -68.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.3 mt -42.34 -56.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.0 t-20 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LEU . 28.7 m -104.86 -71.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' THR . 11.4 mt -34.4 -57.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 40.4 t60 -35.18 107.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 t 59.01 50.5 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 131' ' ' LEU . 2.1 t -99.46 -74.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -99.51 177.28 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.0 m -133.96 77.48 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 136' ' ' THR . 60.0 mt -36.92 141.85 0.38 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.52 118.63 3.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.02 53.22 4.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.05 110.58 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.0 m -32.4 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.9 m -100.18 -175.1 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -71.56 171.95 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.83 108.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.6 122.74 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 t -136.81 114.36 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -144.74 -176.91 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 70.0 m-85 -78.23 143.05 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.32 140.01 38.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.08 95.24 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.2 t -116.61 155.7 28.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -132.62 161.78 33.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -121.39 139.46 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -40.62 101.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 68.3 m -104.86 159.59 15.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 127.14 -95.76 0.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.31 122.75 6.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.642 2.228 . . . . 0.0 112.347 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.4 m -136.54 112.39 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -69.36 148.3 49.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.4 p -98.33 108.07 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.1 p -126.27 106.12 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 155.95 146.93 4.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -74.8 149.54 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.3 p -167.64 128.11 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.46 123.37 4.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.9 p -158.07 170.43 22.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -59.1 -53.44 58.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.23 107.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -109.63 122.41 47.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 41.14 50.69 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -53.05 -58.99 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -40.1 143.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.418 ' N ' ' HG2' ' A' ' 72' ' ' LYS . 75.0 mt -127.64 138.43 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -90.19 108.78 19.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.16 131.32 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.25 -178.03 15.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.7 mmt 60.26 41.89 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 137' ' ' LEU . 31.4 mt -98.71 163.43 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.68 157.53 20.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.73 -45.23 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -43.59 -52.15 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -76.04 144.82 40.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -133.49 172.22 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -43.35 -39.51 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.18 -48.34 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -62.95 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.19 -58.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 35.6 ttt180 -48.26 -62.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -59.35 -22.22 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.0 ttp -85.9 -20.6 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -101.66 -12.82 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 53.8 mm-40 -63.48 -42.18 71.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.96 -14.53 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.454 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 67.4 m-85 -118.67 31.09 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.23 176.66 14.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.452 HG21 ' N ' ' A' ' 97' ' ' ILE . 98.6 m -91.53 140.76 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 95.0 mt -100.05 134.09 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 97' ' ' ILE . 4.1 t70 -96.38 -43.36 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -137.32 147.29 45.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 t -160.8 138.64 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 102' ' ' VAL . 76.2 m -163.08 142.05 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.441 ' N ' HG22 ' A' ' 101' ' ' THR . 19.1 t -98.28 146.99 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 115' ' ' PHE . 25.4 mt -100.87 132.29 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -127.37 171.55 11.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -97.76 -175.99 33.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.81 -63.92 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.74 -51.68 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 129.1 30.66 0.67 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.5 m -101.76 144.93 29.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' LYS . 29.5 t -63.87 93.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' SER . 9.3 mmtp -37.47 -40.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.4 28.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -161.29 153.52 19.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.05 162.48 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' ' 103' ' ' LEU . 18.1 m-85 -108.13 122.86 47.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.6 t -119.21 128.16 75.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -116.27 126.01 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -92.11 166.91 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -72.41 -39.76 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.7 p -135.39 139.36 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 122' ' ' ALA . 19.3 t60 -40.86 -57.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.77 -66.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -46.54 -53.06 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.3 -50.05 12.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -62.23 -47.37 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.95 -50.92 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -53.83 -59.25 4.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.438 ' CG2' ' HB2' ' A' ' 132' ' ' HIS . 63.4 mt -51.86 -52.58 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.8 t30 -35.04 -41.23 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 131' ' ' LEU . 64.1 m -105.86 -67.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.454 ' HG ' ' CE2' ' A' ' 94' ' ' PHE . 25.7 mt -36.95 -50.84 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.438 ' HB2' ' CG2' ' A' ' 128' ' ' ILE . 46.5 t60 -41.42 113.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.4 m 52.06 46.08 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t -95.43 -74.77 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -99.95 176.03 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 137' ' ' LEU . 22.6 m -131.55 82.08 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 78' ' ' LEU . 51.1 mt -36.33 142.71 0.32 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.3 117.2 2.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.0 52.29 5.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.59 109.25 7.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.2 t -31.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 t -100.05 172.76 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.1 m -62.72 -179.81 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.65 97.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.93 97.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.405 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 22.1 t -108.25 113.41 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -149.7 154.12 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -58.42 131.65 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -49.13 163.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -107.61 -62.5 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 57.2 p -53.94 164.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -139.21 155.67 47.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -118.57 83.4 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -79.48 130.56 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 81.0 p -105.66 121.52 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 98.89 143.72 15.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.22 107.77 2.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.8 t -124.71 -50.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 77.5 p -63.82 138.26 58.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -139.07 154.93 48.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 p -83.1 174.66 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.06 156.95 9.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.4 m -153.76 153.84 32.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.4 t -106.04 89.66 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.45 112.89 3.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -111.92 162.12 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.802 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -89.97 143.72 26.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.8 74.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -48.57 -57.24 6.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -54.76 145.3 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.6 mtt180 -127.43 -53.04 1.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' ARG . 11.5 ttpt -34.9 137.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 118' ' ' PHE . 67.9 mt -121.21 143.1 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -101.5 112.09 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.23 149.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.91 178.43 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 61.31 45.89 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.1 mt -99.77 167.81 10.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.85 156.88 16.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' GLN . 3.9 tppp? -55.34 -53.26 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.2 mp0 -35.78 -65.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -50.69 154.3 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 t -137.19 168.53 19.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' CG ' HG23 ' A' ' 102' ' ' VAL . 2.4 m-20 -47.27 -26.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -72.49 -44.37 62.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.18 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.38 -54.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.17 -66.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -59.48 -20.54 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.7 ttp -83.06 -23.24 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -105.24 -4.69 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.5 mt-10 -67.64 -42.23 34.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.94 -14.52 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 92' ' ' GLU . 56.3 m-85 -118.61 31.26 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.2 171.48 13.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.7 m -91.13 136.7 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 57.0 mt -98.83 136.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -95.27 -31.68 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -150.01 164.26 35.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.6 t -171.92 136.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.1 m -153.8 130.34 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.451 ' HA ' ' CB ' ' A' ' 114' ' ' ALA . 59.8 t -89.08 121.86 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.67 137.82 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -142.17 170.51 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -83.36 -150.32 9.78 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.67 -47.11 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -65.12 -50.63 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 133.74 37.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.6 t -104.46 135.08 46.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 p -67.32 99.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -53.01 -24.59 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.66 24.29 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -145.72 156.8 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 102' ' ' VAL . . . -160.09 154.12 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -101.87 126.8 48.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -116.2 120.65 65.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -102.48 112.03 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.455 ' CD1' HD13 ' A' ' 73' ' ' LEU . 15.9 m-85 -85.23 163.94 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.32 -36.42 81.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.7 p -147.78 163.12 37.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 122' ' ' ALA . 24.6 t60 -60.05 -56.77 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.13 -51.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.13 -54.71 37.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -43.15 -49.58 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.62 84.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.06 -55.32 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 131' ' ' LEU . . . -52.75 -68.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.528 HD11 ' CE1' ' A' ' 148' ' ' PHE . 20.0 mt -40.48 -55.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -38.87 -39.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 131' ' ' LEU . 53.8 m -108.13 -69.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 130' ' ' THR . 9.6 mt -36.14 -51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 26.9 t60 -39.79 116.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.8 t 45.67 52.03 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 t -99.58 -74.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.97 174.66 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.7 m -134.21 87.62 2.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 32.9 mt -46.25 142.88 3.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.35 117.23 2.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.39 54.64 3.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.73 110.0 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.5 t -32.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -99.45 -175.35 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.1 m -74.28 179.98 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.77 93.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -70.23 118.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.6 t -130.04 121.73 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -145.47 -179.31 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.528 ' CE1' HD11 ' A' ' 128' ' ' ILE . 67.9 m-85 -84.15 152.41 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -101.98 88.61 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -132.4 81.5 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.2 t -94.91 144.93 25.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.67 131.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -100.25 106.68 18.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.17 141.92 57.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 27.6 t -89.04 -58.39 2.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 86.07 95.69 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -45.01 149.23 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.9 t -70.22 85.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.5 t -167.45 160.72 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.367 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -39.42 144.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 128' ' ' ILE . 28.2 mt -134.08 154.42 51.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -109.23 111.48 23.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 91' ' ' PHE . 60.5 t -99.77 144.26 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.35 -171.8 12.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.0 mmt 52.89 42.58 32.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.4 mt -94.63 148.88 21.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.81 155.35 16.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -51.92 -30.13 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -66.49 -47.88 71.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.613 ' HG3' HD13 ' A' ' 137' ' ' LEU . 45.2 mm-40 -72.18 132.13 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 38.6 p -136.75 175.46 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' THR . 0.5 OUTLIER -37.47 -41.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.28 -58.53 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' MET . 21.3 m-20 -58.07 -62.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.406 HG13 ' CE1' ' A' ' 91' ' ' PHE . 84.1 t -48.38 -48.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -56.6 -59.77 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -66.58 -18.03 65.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' ASP . 10.5 ttp -88.91 -24.0 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.439 ' CE2' HG21 ' A' ' 75' ' ' VAL . 4.7 m-85 -100.36 -21.95 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 21.2 mm-40 -58.37 -42.21 93.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.1 Cg_exo -47.94 -15.27 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.425 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.1 m-85 -118.99 31.14 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.25 163.18 10.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.2 m -88.14 115.02 25.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' A' ' 92' ' ' GLU . 78.1 mt -80.54 140.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.23 -43.95 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -130.54 123.1 28.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.6 t -134.28 117.97 17.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -127.56 131.5 50.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.44 140.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 115' ' ' PHE . 89.0 mt -90.82 108.52 19.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.965 0.412 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -46.55 -34.32 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.23 33.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.405 ' SG ' HD12 ' A' ' 103' ' ' LEU . 1.8 p -164.49 148.3 9.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.12 143.57 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.515 ' CE2' HD11 ' A' ' 103' ' ' LEU . 75.3 m-85 -97.76 137.71 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 135.69 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -120.7 99.45 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.54 169.48 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -66.3 -32.77 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 65.0 p -149.95 161.79 41.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 124' ' ' ALA . 12.2 t-80 -57.62 -60.3 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.01 -43.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.27 -39.2 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 121' ' ' HIS . . . -56.14 -55.17 36.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -55.76 -44.01 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.13 -59.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.85 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.841 HD11 HD22 ' A' ' 73' ' ' LEU . 78.2 mt -42.38 -57.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 128' ' ' ILE . 18.1 t-20 -34.46 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LEU . 75.2 m -108.37 -71.88 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.635 HD12 ' HB1' ' A' ' 127' ' ' ALA . 16.2 mt -34.35 -38.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.2 t60 -52.07 115.18 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.2 t 47.47 44.39 16.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 t -91.71 -75.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -99.55 171.25 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.1 m -122.27 83.61 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.613 HD13 ' HG3' ' A' ' 82' ' ' GLN . 33.8 mt -39.26 148.63 0.27 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.8 133.86 13.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.97 59.37 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -135.2 112.08 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 7.2 m -32.01 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -99.57 -176.93 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.5 m -78.26 174.28 11.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.1 tp -54.52 101.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 83.4 t -78.81 102.48 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 128' ' ' ILE . 6.6 t -115.67 121.88 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -154.65 143.34 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -39.49 149.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -56.11 143.53 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.646 HD22 HD11 ' A' ' 128' ' ' ILE . 86.9 mt -121.92 155.71 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -107.7 112.89 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG21 ' CE2' ' A' ' 91' ' ' PHE . 41.8 t -104.41 140.34 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.04 -171.53 12.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.7 mmt 56.7 33.84 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.0 mt -88.78 161.46 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.06 158.27 16.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -51.72 -48.56 63.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -48.26 -52.12 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.26 129.57 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 11.8 t -126.06 170.88 11.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' THR . 3.2 m-20 -36.48 -47.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -53.76 -53.85 46.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.89 -70.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 85.8 t -41.9 -58.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 22.5 ttm180 -48.72 -63.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -57.92 -22.72 50.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.467 ' SD ' ' CZ ' ' A' ' 135' ' ' ARG . 19.3 ttp -87.98 -19.67 26.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 75' ' ' VAL . 3.7 m-85 -103.39 -14.32 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.637 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 13.9 mt-10 -64.14 -42.17 66.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -47.99 -15.13 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 131.02 172.67 13.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' GLN . 13.2 m -95.85 125.56 40.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 117' ' ' LYS . 77.7 mt -86.57 135.79 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 3.4 t70 -95.64 -41.77 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HG2' ' C ' ' A' ' 98' ' ' ASP . 20.6 mm-40 -145.4 129.62 17.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 28.4 t -133.56 120.32 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.5 m -134.85 134.41 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 114' ' ' ALA . 45.4 t -100.36 139.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 115' ' ' PHE . 88.2 mt -84.98 139.85 31.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -41.9 -29.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.43 37.05 1.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 5.1 p -167.66 154.0 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -158.09 157.73 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 103' ' ' LEU . 74.7 m-85 -105.83 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.12 122.74 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 97' ' ' ILE . 2.8 ttpp -102.57 129.77 49.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.71 162.87 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.4 tt0 -62.98 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.8 p -139.9 139.95 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 122' ' ' ALA . 3.9 t-80 -40.73 -58.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.54 -49.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.46 -53.01 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -44.54 -55.83 4.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.063 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -45.33 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.55 -42.66 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.472 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -62.89 -58.91 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.646 HD11 HD22 ' A' ' 73' ' ' LEU . 68.4 mt -49.64 -57.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 2.6 t30 -37.05 -38.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.2 m -101.88 -71.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' ' 146' ' ' VAL . 20.0 mt -38.32 -53.0 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 34.6 t60 -34.64 122.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.9 m 38.45 51.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t -95.38 -74.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.467 ' CZ ' ' SD ' ' A' ' 90' ' ' MET . 15.1 ptp180 -99.26 178.37 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.3 m -132.74 77.2 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 136' ' ' THR . 26.8 mt -36.22 143.68 0.28 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.707 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.75 124.36 8.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.18 54.59 12.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.94 111.66 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.7 m -32.38 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.1 m -100.03 -175.06 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.6 m -80.29 160.46 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.7 tp -41.46 112.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.63 97.97 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 131' ' ' LEU . 12.1 t -103.09 127.45 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.3 179.26 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 128' ' ' ILE . 63.0 m-85 -83.32 158.24 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.037 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.8 mtm-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.923 0.392 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 7.7 ttpt -58.18 156.39 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 128' ' ' ILE . 23.2 mt -141.19 131.23 24.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -86.81 121.05 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 93.9 t -113.95 137.29 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.36 179.9 16.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 62.27 46.69 5.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.4 mt -102.09 161.69 13.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.31 161.74 13.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -48.14 -47.84 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -51.83 -54.43 29.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.622 ' NE2' HD22 ' A' ' 137' ' ' LEU . 10.0 mp0 -67.68 112.56 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.7 p -121.06 176.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -38.89 -42.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.19 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.22 -72.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 91' ' ' PHE . 82.8 t -39.09 -41.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 18.4 ttp180 -61.27 -62.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -61.51 -20.67 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.0 ttp -85.1 -22.81 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -98.54 -14.83 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 11.8 mt-10 -60.6 -42.27 87.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -15.0 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -119.02 31.1 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.21 176.5 14.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -93.25 131.1 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 91' ' ' PHE . 89.6 mt -93.07 130.99 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -101.47 -45.5 5.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -128.3 128.85 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.2 t -141.38 129.19 21.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 102' ' ' VAL . 72.8 m -145.19 159.15 43.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.514 ' N ' HG22 ' A' ' 101' ' ' THR . 96.6 t -119.45 131.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD21 ' CE2' ' A' ' 115' ' ' PHE . 39.1 mt -82.35 144.48 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -58.49 -34.67 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.15 23.49 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.3 m -141.39 156.37 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.71 162.86 40.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 103' ' ' LEU . 23.9 m-85 -114.17 123.73 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.54 137.17 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -121.86 120.85 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -92.2 154.56 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -53.27 -41.57 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -136.41 163.9 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.592 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 2.6 t-80 -61.22 -55.88 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.24 -66.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -48.86 -36.12 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . -57.75 -53.81 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -42.5 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.8 -63.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.4 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -40.96 -67.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.694 HD11 HD22 ' A' ' 73' ' ' LEU . 80.7 mt -40.9 -57.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' ILE . 19.8 t-20 -35.05 -44.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 98.9 m -102.73 -71.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.635 ' HB3' HG21 ' A' ' 146' ' ' VAL . 9.8 mt -34.52 -53.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 39.7 t60 -35.67 116.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 144' ' ' LEU . 2.8 m 39.33 52.89 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.9 t -92.14 -74.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -99.47 175.47 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.1 m -129.95 77.0 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.622 HD22 ' NE2' ' A' ' 82' ' ' GLN . 74.0 mt -37.63 143.13 0.39 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.71 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.19 117.79 2.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.26 5.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.0 110.31 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 111.075 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.1 m -31.95 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 27.6 p -99.94 -175.56 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -73.18 -179.11 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.4 tp -66.67 97.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.55 110.76 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.635 HG21 ' HB3' ' A' ' 131' ' ' LEU . 25.1 t -123.07 130.78 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -158.78 -179.26 7.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -74.93 151.84 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.423 ' CB ' ' HE2' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.352 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 73' ' ' LEU . 16.4 ttpp -47.31 142.61 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.936 HD22 HD11 ' A' ' 128' ' ' ILE . 58.0 mt -129.84 127.69 40.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -79.55 122.42 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -114.27 143.39 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.08 14.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.4 mmt 61.39 34.13 18.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.4 mt -90.51 150.95 21.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.29 146.4 18.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -39.51 -40.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.6 -49.67 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.536 ' HG2' HD13 ' A' ' 137' ' ' LEU . 7.6 mp0 -73.83 134.49 43.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 t -125.52 -179.64 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.13 -43.19 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.52 -36.47 76.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -70.56 -65.49 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.7 t -47.34 -46.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 28.8 ttt180 -56.88 -64.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.19 -20.04 62.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.6 ttp -84.96 -22.26 29.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.5 m-85 -100.12 -15.92 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 23.3 mt-10 -58.99 -42.17 92.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.588 0.708 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.7 Cg_exo -48.01 -15.08 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.674 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 59.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.67 175.77 14.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 119' ' ' GLN . 56.4 m -95.47 118.14 31.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 91' ' ' PHE . 81.1 mt -78.01 125.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -87.46 -49.02 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -135.5 127.58 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 36.5 t -126.32 109.93 12.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -120.28 141.52 49.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 114' ' ' ALA . 80.2 t -118.22 137.23 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.741 HD12 ' SG ' ' A' ' 113' ' ' CYS . 58.7 mt -86.6 115.99 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.953 0.406 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.73 -28.23 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.91 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 103' ' ' LEU . 28.3 p -161.66 152.47 17.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.413 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -162.42 153.55 17.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 103' ' ' LEU . 51.3 m-85 -104.86 133.23 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.27 129.85 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -113.2 125.83 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -93.73 166.38 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.6 tt0 -61.76 -37.5 84.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.0 p -142.53 139.37 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 12.8 t60 -38.65 -53.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -40.73 -68.14 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 42.5 mt-10 -36.37 -50.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -47.97 -61.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.63 -40.86 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -55.79 -57.06 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 94' ' ' PHE . . . -58.45 -53.77 54.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.936 HD11 HD22 ' A' ' 73' ' ' LEU . 64.4 mt -47.36 -58.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -41.41 -35.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 131' ' ' LEU . 89.4 m -101.67 -73.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.639 HD13 ' CE1' ' A' ' 91' ' ' PHE . 12.4 mt -34.97 -37.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.7 t60 -56.49 118.93 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 m 44.89 48.08 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -96.34 -70.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 135' ' ' ARG . 4.7 ptp180 -100.03 174.68 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.5 m -132.58 75.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.536 HD13 ' HG2' ' A' ' 82' ' ' GLN . 28.4 mt -37.96 141.99 0.47 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.11 128.96 17.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.45 43.04 54.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -132.82 109.89 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 11.9 p -31.89 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.3 t -100.2 -174.94 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.5 p -80.09 153.05 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 143' ' ' SER . 9.9 tp -35.22 115.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.44 104.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 131' ' ' LEU . 81.4 t -117.93 123.65 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -156.03 165.63 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -63.34 140.21 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 121' ' ' HIS . 16.5 mmt85 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 115' ' ' PHE . 43.0 tttt -47.69 139.38 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.844 HD22 HD11 ' A' ' 128' ' ' ILE . 32.3 mt -127.43 158.85 36.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -115.24 128.8 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.472 HG13 HG22 ' A' ' 146' ' ' VAL . 17.1 t -119.95 148.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.15 -162.32 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.6 mmt 45.31 32.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 144' ' ' LEU . 57.3 mt -86.94 162.55 17.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.74 155.53 16.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -50.87 -46.47 60.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.291 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -47.07 -55.69 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.432 ' HG3' HD22 ' A' ' 137' ' ' LEU . 36.3 mm-40 -67.39 141.85 56.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.6 p -136.68 175.81 9.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.617 ' CG ' HG23 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -42.57 -39.77 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.16 -62.21 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -53.73 -53.84 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.52 -53.24 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.625 ' HA ' HD13 ' A' ' 97' ' ' ILE . 45.5 ttt180 -55.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -58.97 -22.08 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttp -85.18 -21.22 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.615 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.5 m-85 -104.73 -6.87 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.4 mt-10 -68.2 -42.16 28.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -48.0 -15.2 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.48 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.8 m-85 -119.01 31.1 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.17 170.89 12.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.0 m -91.1 123.08 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 88' ' ' ARG . 70.3 mt -88.22 123.39 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -94.68 -46.17 7.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -125.6 124.71 41.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.0 t -141.09 121.63 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.2 m -143.6 145.24 32.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.617 HG23 ' CG ' ' A' ' 84' ' ' ASP . 73.5 t -103.19 151.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 115' ' ' PHE . 43.3 mt -103.22 129.57 50.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -44.91 -39.35 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.62 30.87 1.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.3 p -161.92 152.0 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.32 162.04 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.517 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 30.1 m-85 -106.41 136.29 46.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.0 t -128.4 126.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -112.33 137.49 50.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -107.08 170.01 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -70.34 -41.29 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 121' ' ' HIS . 70.8 p -135.84 137.68 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.533 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 9.6 t60 -37.23 -57.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.61 -67.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.15 -41.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . -57.28 -62.22 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 126' ' ' ALA . 4.8 tp-100 -41.17 -55.9 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 125' ' ' GLN . . . -36.16 -62.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.519 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -47.47 -67.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.844 HD11 HD22 ' A' ' 73' ' ' LEU . 19.6 mt -38.97 -59.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' ILE . 53.1 t-20 -36.39 -38.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' HIS . 99.0 m -105.7 -72.29 0.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.519 HD12 ' HB1' ' A' ' 127' ' ' ALA . 14.9 mt -34.24 -35.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 62.0 t60 -53.37 110.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.8 p 52.75 30.2 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.4 p -70.46 -74.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -99.95 171.61 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.9 m -124.31 80.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' A' ' 82' ' ' GLN . 82.6 mt -36.3 143.93 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.3 128.41 14.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 62.11 56.48 22.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.99 110.14 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 140' ' ' ALA . 31.1 t -31.94 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -179.07 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 69.8 m -75.01 176.93 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.498 HD11 HD21 ' A' ' 78' ' ' LEU . 17.7 tp -61.82 89.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.84 122.09 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 144' ' ' LEU . 5.9 t -134.67 136.73 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -165.96 145.16 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -40.02 158.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -40.33 136.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 124' ' ' ALA . 18.9 mt -125.18 144.3 50.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -100.87 115.33 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.39 135.51 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.51 175.19 17.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.5 mmt 62.51 46.9 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 144' ' ' LEU . 94.1 mt -101.17 158.53 15.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.02 156.51 16.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -44.77 -42.26 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.698 0.285 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -50.87 -54.84 20.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -73.69 122.55 22.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 64.1 p -127.82 174.57 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 34.3 t0 -36.88 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' THR . 2.5 tp10 -72.7 -61.16 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.54 -50.82 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -55.33 -39.8 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' O ' HD12 ' A' ' 97' ' ' ILE . 32.5 ttt180 -69.95 -55.08 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -66.42 -20.07 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttp -87.77 -20.54 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.707 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.6 m-85 -102.47 -15.17 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.5 mm-40 -62.86 -42.19 76.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.3 Cg_exo -48.01 -15.06 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.495 ' HE2' HD21 ' A' ' 131' ' ' LEU . 62.3 m-85 -119.11 31.18 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.24 176.79 14.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.7 m -93.32 128.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.707 HD11 ' HB2' ' A' ' 91' ' ' PHE . 75.6 mt -95.01 117.92 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.19 -49.23 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -127.26 148.01 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.0 t -162.63 138.25 7.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 102' ' ' VAL . 93.3 m -155.91 153.1 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.403 ' N ' HG22 ' A' ' 101' ' ' THR . 47.3 t -115.45 128.99 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 115' ' ' PHE . 40.5 mt -76.05 122.14 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -38.87 -33.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.36 19.06 2.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.66 140.52 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.87 150.41 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 103' ' ' LEU . 44.3 m-85 -101.07 136.73 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.27 131.24 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 97' ' ' ILE . 46.7 tttp -115.18 118.48 33.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -89.04 162.35 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -66.53 -36.34 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 64.1 p -142.43 147.96 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -50.76 -50.31 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.55 -56.42 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.17 -50.39 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.43 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -46.9 -51.61 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 125' ' ' GLN . 6.4 tp60 -55.94 -41.28 74.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.23 -57.63 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.686 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -51.31 -63.71 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.6 mt -42.76 -61.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 128' ' ' ILE . 59.7 t-20 -34.96 -44.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 131' ' ' LEU . 93.1 m -100.51 -72.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.686 HD12 ' HB1' ' A' ' 127' ' ' ALA . 15.2 mt -35.2 -53.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.3 t60 -35.61 126.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 144' ' ' LEU . 44.4 t 34.59 53.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.4 t -95.86 -74.68 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 143' ' ' SER . 5.5 ptp85 -99.9 179.35 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.3 m -134.32 79.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.2 mt -39.38 142.26 0.61 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.7 126.16 12.18 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.96 43.78 32.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.57 109.43 8.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.0 m -32.06 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -100.1 -175.0 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 135' ' ' ARG . 3.2 p -83.08 160.07 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.0 tp -39.55 122.05 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.85 96.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.48 121.78 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -148.46 169.57 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -67.78 140.33 56.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -48.43 126.6 11.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 128' ' ' ILE . 81.4 mt -108.58 147.84 31.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -100.22 107.57 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.5 t -95.11 146.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.57 -171.51 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.96 39.01 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -94.68 158.81 15.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.9 153.66 16.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -50.18 -41.98 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -43.77 -50.46 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -67.41 151.06 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 p -134.71 158.71 43.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -40.18 -30.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.75 -50.82 47.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' VAL . 59.2 m-20 -52.85 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ASP . 95.8 t -38.11 -48.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -53.65 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.56 -17.68 64.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.417 ' SD ' ' NH1' ' A' ' 135' ' ' ARG . 26.2 ttp -86.04 -24.21 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.632 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -102.8 -13.63 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 18.0 mm-40 -61.64 -42.25 82.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.2 Cg_exo -47.94 -15.16 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 60.9 m-85 -118.98 31.12 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.92 173.05 13.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.5 m -93.1 123.66 36.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 91' ' ' PHE . 68.0 mt -91.27 124.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 -36.39 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 100' ' ' CYS . 5.3 tm-20 -137.12 145.68 44.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 99' ' ' GLU . 53.5 t -153.0 131.14 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.5 m -154.28 145.03 22.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 114' ' ' ALA . 86.7 t -107.86 144.67 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 115' ' ' PHE . 53.2 mt -94.01 124.16 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.973 0.416 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -62.91 -36.79 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.29 41.85 0.62 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -163.87 150.93 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB2' HG22 ' A' ' 102' ' ' VAL . . . -156.28 153.38 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 103' ' ' LEU . 61.5 m-85 -102.17 125.65 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.445 HG11 ' CD2' ' A' ' 91' ' ' PHE . 72.1 t -115.86 109.33 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 97' ' ' ILE . 8.9 ttmm -91.24 122.69 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 11.4 m-85 -95.65 167.59 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -67.99 -34.1 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.8 p -149.12 162.01 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.71 -44.89 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.16 -71.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -42.27 -50.23 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.452 ' HA ' ' CD2' ' A' ' 118' ' ' PHE . . . -48.55 -44.95 36.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.02 -40.39 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -49.26 -69.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.48 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -36.29 -63.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.501 HD11 HD22 ' A' ' 73' ' ' LEU . 57.2 mt -39.89 -63.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' ILE . 12.9 t-20 -35.79 -44.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LEU . 48.2 m -96.52 -74.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.48 HD12 ' HB1' ' A' ' 127' ' ' ALA . 10.5 mt -34.9 -59.01 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.7 t60 -37.51 117.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t 50.9 45.61 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.6 t -95.94 -75.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.417 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 9.2 ptm180 -100.04 177.51 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 m -132.69 85.13 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.65 152.57 0.89 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.6 126.14 11.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.614 2.209 . . . . 0.0 112.374 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.06 18.23 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.91 112.03 17.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.6 t -32.39 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.3 m -95.65 -174.98 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.2 m -72.83 -175.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.0 tp -70.92 125.72 27.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.25 111.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 t -119.67 109.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.44 141.89 35.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -44.65 132.24 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.88 0.371 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -127.49 138.57 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.696 HD22 HD11 ' A' ' 128' ' ' ILE . 64.2 mt -120.99 132.66 55.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -88.75 110.1 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.419 ' CG1' HD11 ' A' ' 144' ' ' LEU . 47.4 t -98.0 141.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.457 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -139.17 179.34 18.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.521 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.26 50.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.342 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.79 146.35 29.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.91 149.37 19.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -59.24 -18.98 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -73.56 -42.96 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -69.77 153.18 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -136.97 174.95 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -45.59 -52.56 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -46.4 -53.07 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.22 -69.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.01 -59.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.46 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 8.9 ttm180 -51.49 -55.74 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -61.53 -23.19 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.7 ttp -86.01 -20.46 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.482 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.4 m-85 -99.94 -19.29 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 6.9 mm-40 -57.65 -42.48 95.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.96 -14.86 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 69.4 m-85 -118.81 31.17 6.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.74 176.39 14.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 m -92.54 139.1 30.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.69 0.281 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.482 HD11 ' HB2' ' A' ' 91' ' ' PHE . 97.0 mt -99.97 120.66 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.63 -39.61 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -136.74 140.64 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 45.4 t -152.96 118.54 5.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.4 m -135.64 144.91 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.66 136.3 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 115' ' ' PHE . 25.3 mt -92.93 130.22 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.945 0.402 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -56.52 -25.78 52.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.01 30.93 6.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.84 138.49 16.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.09 151.07 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 103' ' ' LEU . 42.0 m-85 -104.08 116.55 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.8 t -107.05 137.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -119.13 131.1 55.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -101.65 158.46 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.06 -40.17 92.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -138.81 146.14 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -50.69 -46.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.14 -53.04 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.51 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -45.56 -45.92 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -52.13 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.04 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.577 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -47.07 -65.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.696 HD11 HD22 ' A' ' 73' ' ' LEU . 54.2 mt -44.12 -55.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 128' ' ' ILE . 14.3 t-20 -34.98 -40.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 131' ' ' LEU . 70.6 m -109.63 -68.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.577 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.0 mt -35.81 -48.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.564 ' HB2' HG23 ' A' ' 128' ' ' ILE . 37.2 t60 -54.03 108.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t 64.11 47.48 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 92.3 p -99.87 -74.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -100.02 159.99 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 42.1 m -120.71 75.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 136' ' ' THR . 75.7 mt -35.12 152.92 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.588 0.709 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.86 121.01 7.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 33.19 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.07 115.09 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.731 0.3 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 140' ' ' ALA . 63.2 m -32.39 -76.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 37.2 m -100.08 -177.38 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' LEU . 1.3 t -76.19 174.91 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 76' ' ' GLY . 28.8 tp -54.57 108.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.47 100.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.432 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 11.1 t -115.1 108.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -144.9 144.33 31.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -38.93 145.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.937 0.399 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.562 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 19.6 ttpt -40.51 141.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 128' ' ' ILE . 45.8 mt -125.56 146.45 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -99.16 119.39 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.442 HG22 HG13 ' A' ' 146' ' ' VAL . 21.7 t -110.79 138.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.37 -173.97 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG3' HG23 ' A' ' 145' ' ' VAL . 13.0 mmt 59.44 33.86 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.13 157.84 16.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.16 155.66 16.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -48.26 -40.84 26.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -50.68 -54.37 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.762 ' HG3' HD13 ' A' ' 137' ' ' LEU . 32.5 mm-40 -72.9 142.23 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ASP . 42.6 p -139.81 169.8 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 5.0 t70 -36.56 -37.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.99 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 90' ' ' MET . 5.9 m-20 -59.26 -55.92 28.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.37 -54.76 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -52.51 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -61.41 -19.93 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.478 ' CB ' ' O ' ' A' ' 86' ' ' ASP . 21.1 ttp -85.35 -22.14 28.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 131' ' ' LEU . 3.1 m-85 -100.38 -15.74 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 19.2 mt-10 -59.73 -42.2 90.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.6 Cg_exo -47.94 -14.68 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.558 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 60.5 m-85 -118.6 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 128.1 165.8 11.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -83.36 131.24 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 91' ' ' PHE . 81.3 mt -94.77 132.87 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -101.86 -44.18 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -132.54 133.54 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 38.8 t -148.38 116.41 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -134.97 135.7 41.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.487 HG22 ' CB ' ' A' ' 114' ' ' ALA . 97.7 t -98.99 149.52 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.31 119.71 33.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.982 0.42 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -50.61 -25.8 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.67 33.11 1.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 p -165.3 147.98 7.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.487 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -155.35 157.11 36.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CD1' ' HE3' ' A' ' 72' ' ' LYS . 48.3 m-85 -105.03 130.38 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 65.0 t -119.39 135.52 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -119.18 128.3 54.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 25.5 m-85 -98.1 164.7 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.85 -25.2 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.8 p -148.71 155.68 41.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -59.31 -56.63 19.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.18 -55.46 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 34.8 mm-40 -50.53 -57.65 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -40.73 -61.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.35 -51.19 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -40.25 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -40.83 -61.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 73' ' ' LEU . 96.5 mt -47.49 -45.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -47.48 -39.09 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' LEU . 54.5 m -108.28 -66.0 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 127' ' ' ALA . 11.7 mt -35.13 -43.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 33.4 t60 -47.07 121.12 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' HIS . 21.9 t 36.87 53.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -99.95 -69.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -99.68 172.52 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -127.46 81.17 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.762 HD13 ' HG3' ' A' ' 82' ' ' GLN . 88.4 mt -41.16 143.44 0.77 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -46.89 123.39 7.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.92 53.52 14.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.98 111.58 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 111.064 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 18.9 m -32.4 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.5 m -100.03 -175.33 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 m -73.06 176.85 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.07 103.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 77' ' ' MET . 85.0 t -78.58 115.54 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 131' ' ' LEU . 3.5 t -123.99 132.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -156.64 -179.3 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -78.55 149.73 32.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 39.7 mtt85 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.88 0.372 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.528 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 27.6 ttmt -35.76 138.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.66 HD22 HD11 ' A' ' 128' ' ' ILE . 17.9 mt -118.32 141.43 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -95.56 113.05 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.6 t -108.18 129.6 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -120.59 -171.02 14.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.6 mmt 52.83 42.21 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 mt -96.6 150.71 20.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.79 149.03 17.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -40.85 -43.12 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.713 0.292 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -48.64 -56.18 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -66.19 122.08 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' ASP . 68.0 p -121.22 166.69 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.92 -28.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.6 tp10 -73.98 -43.42 58.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' THR . 39.1 m-20 -65.33 -60.83 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' PHE . 55.5 t -46.33 -55.71 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 14.9 ttt180 -51.39 -63.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -59.32 -21.75 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttp -88.79 -19.01 26.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 87' ' ' VAL . 3.6 m-85 -103.28 -17.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.4 mt-10 -62.58 -42.21 77.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.96 -15.3 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.474 ' HE2' HD21 ' A' ' 131' ' ' LEU . 63.9 m-85 -119.03 31.1 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.55 170.41 12.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.3 m -91.84 126.89 37.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 117' ' ' LYS . 55.8 mt -91.34 126.16 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.42 -30.92 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -141.12 138.8 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.0 t -148.18 128.11 13.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 m -155.69 141.72 18.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.48 150.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 115' ' ' PHE . 48.0 mt -99.6 119.58 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.98 0.419 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -46.14 -32.37 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.13 16.05 5.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -151.39 150.49 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.46 163.3 37.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.528 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.1 m-85 -112.7 131.53 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.6 t -124.39 118.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 97' ' ' ILE . 20.5 ttmt -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.8 158.99 15.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.71 -31.72 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 46.4 p -140.59 158.74 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -65.78 -43.78 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.41 -43.42 44.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.25 -49.92 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.576 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -49.05 -42.6 39.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -69.57 -39.2 77.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.43 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.528 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -54.12 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.66 HD11 HD22 ' A' ' 73' ' ' LEU . 61.3 mt -44.34 -55.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 128' ' ' ILE . 57.9 t-20 -34.95 -40.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 131' ' ' LEU . 94.3 m -107.57 -69.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.528 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.7 mt -35.54 -45.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.479 ' HB2' HG23 ' A' ' 128' ' ' ILE . 69.3 t60 -50.31 119.85 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.4 p 47.3 47.41 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 t -96.46 -75.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 135' ' ' ARG . 4.8 ptp180 -98.81 168.9 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.1 m -126.77 80.25 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.6 152.27 0.54 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.25 130.51 17.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.02 17.52 53.41 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -125.61 112.08 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.9 m -32.4 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.3 m -95.1 -175.43 3.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.0 m -70.05 -178.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 76' ' ' GLY . 28.9 tp -72.98 113.48 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.1 t -84.1 110.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.41 119.22 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -146.78 -177.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -78.25 156.2 29.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 8.3 ttpt -47.75 136.79 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.755 HD22 HD11 ' A' ' 128' ' ' ILE . 79.8 mt -124.23 134.54 53.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -90.68 121.35 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 146' ' ' VAL . 39.0 t -112.51 133.24 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.15 -177.66 14.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 mmt 59.82 32.78 21.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 137' ' ' LEU . 83.5 mt -86.98 165.72 15.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.14 148.51 18.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.52 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -53.48 -46.01 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -43.74 -50.7 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.463 ' NE2' ' N ' ' A' ' 82' ' ' GLN . 0.4 OUTLIER -60.09 156.21 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 85' ' ' GLU . 30.2 p -135.16 156.54 48.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.637 ' CG ' HG23 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -41.51 -25.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 83' ' ' THR . 12.9 mt-10 -73.5 -50.93 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -50.21 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG13 ' CE1' ' A' ' 91' ' ' PHE . 99.2 t -38.77 -50.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.475 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 61.2 ttt-85 -50.65 -66.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -59.78 -20.31 55.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttp -85.42 -21.62 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.427 ' C ' ' HD2' ' A' ' 93' ' ' PRO . 3.9 m-85 -104.56 -16.89 14.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.9 mt-10 -58.31 -42.2 93.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -48.02 -14.94 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.433 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.8 m-85 -118.81 30.97 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.96 154.78 8.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.9 m -72.55 135.47 45.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 59.3 mt -98.27 117.32 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.424 ' OD1' ' NE2' ' A' ' 119' ' ' GLN . 12.1 m-20 -76.23 -50.69 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -130.69 149.3 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.69 116.46 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -136.67 135.09 37.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 84' ' ' ASP . 74.7 t -96.14 147.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.524 HD11 ' CE2' ' A' ' 115' ' ' PHE . 90.1 mt -95.22 129.24 42.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -48.43 -28.01 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.38 33.18 2.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.38 150.3 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.878 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.21 165.58 30.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.524 ' CE2' HD11 ' A' ' 103' ' ' LEU . 20.9 m-85 -116.16 124.92 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.66 121.4 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -105.73 108.86 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -78.7 165.44 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.424 ' NE2' ' OD1' ' A' ' 98' ' ' ASP . 6.1 tp-100 -73.97 -28.77 61.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.3 p -145.7 155.13 42.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -57.71 -57.24 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.55 -56.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -54.5 -43.33 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.7 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -67.54 -39.72 85.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -55.22 27.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.505 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -51.46 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.755 HD11 HD22 ' A' ' 73' ' ' LEU . 74.3 mt -46.02 -58.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 41.4 t30 -35.24 -38.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' LEU . 71.9 m -107.2 -70.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.505 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.5 mt -36.86 -41.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.1 t60 -50.41 123.75 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t 41.08 51.48 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.0 p -99.86 -74.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -98.9 -177.27 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.9 m -139.23 105.92 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 78' ' ' LEU . 42.2 mt -71.09 143.5 88.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.12 121.64 5.44 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.737 2.292 . . . . 0.0 112.345 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.34 42.9 11.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.03 108.07 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 36.5 m -31.42 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.4 p -99.54 -175.07 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.9 m -77.9 156.43 30.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 143' ' ' SER . 11.9 tp -35.02 106.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.21 104.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.498 HG13 HG22 ' A' ' 75' ' ' VAL . 2.9 t -117.25 126.23 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -156.84 153.82 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -50.0 142.36 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' NE ' ' HE3' ' A' ' 117' ' ' LYS . 5.2 ptt180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.935 0.397 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.0 ttpt -36.56 142.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.952 HD21 ' HB1' ' A' ' 124' ' ' ALA . 18.9 mt -128.01 149.78 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -105.13 113.63 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 t -103.25 139.62 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.87 -176.15 14.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 56.04 45.14 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 mt -99.4 161.64 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.02 155.8 16.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -59.19 -17.5 28.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.733 0.301 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -75.2 -49.05 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.61 HE21 HD22 ' A' ' 137' ' ' LEU . 0.5 OUTLIER -69.29 138.06 53.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.454 HG22 ' OD2' ' A' ' 86' ' ' ASP . 13.8 t -131.55 172.42 12.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.49 -48.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.04 -60.6 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' A' ' 83' ' ' THR . 22.2 m-20 -51.07 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.8 t -45.49 -59.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.615 ' HG3' HD12 ' A' ' 97' ' ' ILE . 57.8 ttt180 -49.38 -61.46 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -59.71 -22.81 62.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 86' ' ' ASP . 17.4 ttp -86.39 -19.97 28.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.467 ' CE1' HD13 ' A' ' 131' ' ' LEU . 4.1 m-85 -104.33 -11.9 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 20.9 mm-40 -63.75 -42.25 70.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -47.97 -14.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -118.79 31.15 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.71 169.41 12.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.7 m -89.24 133.88 34.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 111.19 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.615 HD12 ' HG3' ' A' ' 88' ' ' ARG . 53.0 mt -98.34 118.28 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -43.02 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -139.85 159.39 42.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.6 t -164.82 120.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -129.31 126.66 39.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -96.32 137.92 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.408 HD12 ' SG ' ' A' ' 113' ' ' CYS . 55.6 mt -88.89 133.6 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -56.48 -39.28 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.09 38.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.408 ' SG ' HD12 ' A' ' 103' ' ' LEU . 7.2 p -170.93 146.22 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.32 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -97.52 117.38 31.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.4 t -103.86 141.59 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HE3' ' NE ' ' A' ' 71' ' ' ARG . 24.2 tttp -122.39 115.45 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -88.83 164.88 15.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.17 -37.62 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' HIS . 82.1 p -144.54 136.57 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 1.8 t-80 -35.86 -48.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -43.71 -72.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -37.37 -53.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.952 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -41.74 -43.81 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -56.1 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.89 -46.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.495 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -58.52 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.783 HD11 HD22 ' A' ' 73' ' ' LEU . 75.6 mt -47.96 -58.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' ILE . 24.5 t30 -34.47 -39.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' LEU . 91.1 m -107.54 -72.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.495 HD12 ' HB1' ' A' ' 127' ' ' ALA . 12.0 mt -34.38 -39.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 32.2 t60 -55.46 111.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.6 t 58.5 49.32 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 m -99.96 -74.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.403 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 18.5 ptp180 -99.5 171.31 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.6 m -128.39 72.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.61 HD22 HE21 ' A' ' 82' ' ' GLN . 43.1 mt -34.84 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.06 126.98 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.5 45.3 18.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.56 109.08 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.8 m -32.17 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.8 t -100.2 -174.98 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.2 m -70.82 176.65 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.46 109.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.9 t -82.41 109.98 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 4.1 t -124.87 124.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -156.91 148.26 22.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -42.03 162.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -45.94 126.04 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.623 HD22 HD11 ' A' ' 128' ' ' ILE . 87.2 mt -111.48 146.73 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -98.92 110.18 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.01 147.74 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -146.29 -179.25 22.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.419 ' O ' HD12 ' A' ' 137' ' ' LEU . 20.4 mmt 60.67 38.09 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.05 171.54 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.81 169.79 14.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -4.35 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.692 0.282 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -96.88 -54.6 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.499 ' OE1' HD13 ' A' ' 137' ' ' LEU . 29.1 mt-30 -45.83 154.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 p -139.86 177.54 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' A' ' 102' ' ' VAL . 0.9 OUTLIER -53.28 -27.37 22.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -69.98 -55.39 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.4 -61.48 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 79.8 t -49.27 -40.55 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.481 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 16.0 ttm180 -65.26 -61.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -61.0 -20.99 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.8 ttp -87.48 -19.9 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.641 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -101.73 -12.11 18.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 22.8 mt-10 -66.11 -42.14 48.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.8 Cg_exo -47.95 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.517 ' HE2' HD21 ' A' ' 131' ' ' LEU . 61.2 m-85 -118.78 31.18 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.27 177.0 14.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -91.63 137.89 32.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 91' ' ' PHE . 67.2 mt -98.47 126.86 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.57 -32.13 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -152.51 160.44 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.4 t -169.99 123.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -140.83 139.1 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.564 HG23 ' OD2' ' A' ' 84' ' ' ASP . 65.4 t -95.82 144.34 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.741 HD11 ' CE2' ' A' ' 115' ' ' PHE . 35.9 mt -98.45 121.48 40.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.924 0.393 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -72.62 -27.84 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.85 28.0 3.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -157.96 148.64 20.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.06 158.21 43.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.741 ' CE2' HD11 ' A' ' 103' ' ' LEU . 38.3 m-85 -105.85 120.4 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 91' ' ' PHE . 74.1 t -114.27 115.11 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -102.96 113.41 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -79.89 174.41 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -73.81 -38.79 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.4 p -142.23 148.64 38.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 2.4 t-80 -41.71 -64.04 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -34.48 -59.47 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.33 -47.3 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.59 74.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -64.99 -39.19 93.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.19 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -39.92 -58.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.623 HD11 HD22 ' A' ' 73' ' ' LEU . 68.9 mt -45.1 -61.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' ILE . 3.0 m120 -35.43 -42.53 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LEU . 18.5 m -100.15 -73.83 0.62 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.517 HD21 ' HE2' ' A' ' 94' ' ' PHE . 11.6 mt -34.4 -66.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 131' ' ' LEU . 56.8 t60 -35.99 110.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.8 t 59.44 47.3 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 131' ' ' LEU . 5.4 t -98.93 -75.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -99.96 -175.83 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.8 m -127.9 74.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.77 HD11 HD13 ' A' ' 144' ' ' LEU . 70.6 mt -34.91 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.551 0.691 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 120.69 7.1 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.97 24.71 29.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -128.63 108.07 10.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 140' ' ' ALA . 21.0 m -31.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.0 m -91.04 -174.99 4.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.9 m -71.34 174.45 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 137' ' ' LEU . 51.0 tp -61.2 137.82 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 18.3 t -106.03 118.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.1 t -132.63 107.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -140.95 151.29 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -49.05 150.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.889 0.375 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 15.5 ttmt -49.89 149.43 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' ' 128' ' ' ILE . 86.3 mt -132.19 134.16 45.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -89.79 121.03 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 141.36 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.25 -170.83 12.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.38 38.18 24.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 137' ' ' LEU . 36.5 mt -90.01 163.68 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -116.09 163.05 12.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -63.79 -43.76 95.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -50.31 -54.64 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' OE1' ' CG ' ' A' ' 86' ' ' ASP . 43.6 mm-40 -62.23 151.81 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -137.14 -177.14 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -56.69 -30.74 63.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.65 -44.88 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.438 ' CG ' ' OE1' ' A' ' 82' ' ' GLN . 47.5 m-20 -62.27 -73.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.523 HG13 ' CE1' ' A' ' 91' ' ' PHE . 96.1 t -41.84 -34.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -66.08 -62.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -66.26 -16.66 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.9 ttp -85.71 -23.16 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.523 ' CE1' HG13 ' A' ' 87' ' ' VAL . 3.8 m-85 -99.77 -15.17 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.2 mt-10 -60.5 -42.19 87.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 63.7 Cg_exo -47.98 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 63.8 m-85 -118.83 31.1 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 126.52 154.94 8.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -76.87 116.86 17.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.299 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 117' ' ' LYS . 71.2 mt -73.3 127.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.25 -27.06 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -152.85 149.78 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 43.6 t -158.69 119.21 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.7 m -143.03 129.94 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.7 t -87.56 150.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 115' ' ' PHE . 39.6 mt -101.35 122.96 44.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.938 0.399 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -72.22 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.53 42.55 0.8 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 p -169.05 156.13 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.55 154.69 32.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.2 m-85 -105.41 113.13 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.53 125.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 97' ' ' ILE . 12.3 tttp -107.87 137.22 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.587 ' HB2' ' HB2' ' A' ' 124' ' ' ALA . 23.4 m-85 -106.95 160.33 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -61.69 -28.71 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.9 p -150.33 170.81 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' ALA . 73.3 t60 -68.59 -62.36 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.2 -46.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.28 -50.08 67.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.587 ' HB2' ' HB2' ' A' ' 118' ' ' PHE . . . -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.401 HE22 HD21 ' A' ' 129' ' ' ASN . 0.3 OUTLIER -65.62 -40.63 92.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -48.45 -50.24 32.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -53.67 -55.48 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.679 HD11 HD22 ' A' ' 73' ' ' LEU . 82.3 mt -47.43 -58.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' ILE . 26.1 m120 -35.46 -40.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 77.1 m -105.35 -71.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 127' ' ' ALA . 9.9 mt -34.78 -47.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.438 ' ND1' ' O ' ' A' ' 146' ' ' VAL . 15.7 t60 -49.61 118.23 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 t 50.82 47.17 25.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 t -98.51 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 176.03 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -133.38 81.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 78' ' ' LEU . 37.8 mt -41.03 142.21 0.88 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.74 120.24 4.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.51 48.71 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.83 106.89 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 140' ' ' ALA . 41.3 t -31.23 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.7 m -98.75 -174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.8 m -74.77 172.44 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.65 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.05 102.5 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.438 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 37.8 t -115.85 117.45 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 148' ' ' PHE . 6.1 pttm -152.93 138.86 18.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.57 ' HA ' HD23 ' A' ' 73' ' ' LEU . 55.3 m-85 -37.34 152.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -56.69 147.78 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 128' ' ' ILE . 29.0 mt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -94.17 117.16 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 t -104.76 138.93 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.73 176.35 19.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 mmt 62.08 44.04 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 72.6 mt -100.28 162.94 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -124.88 157.59 19.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.431 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -48.54 -35.94 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -56.57 -45.71 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 8.4 mp0 -75.55 132.06 40.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.453 HG23 ' H ' ' A' ' 85' ' ' GLU . 14.2 t -134.51 169.62 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.5 p-10 -36.77 -39.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' H ' HG23 ' A' ' 83' ' ' THR . 6.0 mp0 -63.6 -54.62 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.5 -65.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.85 -50.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.483 ' HA ' HD13 ' A' ' 97' ' ' ILE . 40.3 ttt180 -53.37 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.78 -19.86 60.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 30.1 ttp -84.12 -23.19 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.639 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.1 m-85 -101.77 -12.61 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.8 mt-10 -60.71 -42.22 86.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.76 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.97 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.556 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 65.7 m-85 -118.63 30.93 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 124.25 161.39 11.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.4 m -76.1 132.56 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 91' ' ' PHE . 63.8 mt -96.52 125.48 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.28 -39.71 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 44.3 tp10 -128.88 152.91 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 44.1 t -170.62 115.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -133.44 135.73 44.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.411 HG13 ' HB2' ' A' ' 114' ' ' ALA . 22.2 t -101.89 126.5 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 115' ' ' PHE . 42.6 mt -82.48 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.907 0.384 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -59.36 -21.43 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.41 39.57 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -163.83 149.65 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.345 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -159.14 154.45 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 103' ' ' LEU . 52.8 m-85 -102.54 133.27 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 91' ' ' PHE . 97.0 t -124.56 124.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -106.65 145.43 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -115.82 149.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -49.79 -31.36 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.6 p -152.8 142.18 21.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' ALA . 10.0 t60 -42.4 -51.01 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -38.03 -62.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 124' ' ' ALA . 53.0 mm-40 -48.57 -59.02 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.531 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -36.8 -54.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -49.05 -58.07 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.57 -63.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -41.62 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 73' ' ' LEU . 96.7 mt -40.6 -64.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 9.5 t-20 -34.47 -38.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 m -102.49 -71.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.638 HD12 ' HB1' ' A' ' 127' ' ' ALA . 16.4 mt -39.04 -46.34 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.0 t60 -45.92 117.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t 45.17 53.05 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 88.7 p -96.65 -73.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -99.51 171.94 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.3 m -125.35 87.31 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.0 mt -48.55 153.4 1.38 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.77 125.29 10.93 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 18.41 50.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.52 112.12 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.2 m -32.72 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.4 p -93.37 -176.91 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 m -76.77 174.23 10.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 24.1 tp -55.02 121.22 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.24 102.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.6 t -112.59 122.57 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -151.99 161.82 42.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -60.37 142.47 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -61.64 142.75 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.906 HD22 HD11 ' A' ' 128' ' ' ILE . 26.7 mt -124.92 138.02 54.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -88.87 123.29 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 146' ' ' VAL . 4.6 t -116.19 145.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -143.18 -178.1 18.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.5 mmt 57.75 35.65 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.9 mt -88.63 152.78 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.68 150.28 18.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -40.64 -29.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.6 -49.01 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.641 ' HG2' HD13 ' A' ' 137' ' ' LEU . 19.4 mp0 -73.6 110.85 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -121.27 176.05 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.01 -58.0 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -55.86 -65.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.5 t -39.79 -54.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 25.3 ttt180 -51.83 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -62.59 -20.23 64.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.8 ttp -86.83 -23.06 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.621 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.3 m-85 -99.47 -17.0 18.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 5.7 mm-40 -59.99 -42.15 88.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -48.0 -14.71 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 54.1 m-85 -118.7 31.1 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.05 -179.37 16.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 m -95.47 137.65 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 91' ' ' PHE . 64.8 mt -99.36 126.39 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.71 -36.74 16.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -137.65 154.72 49.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.7 t -159.8 137.3 9.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.1 m -159.7 138.58 10.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 114' ' ' ALA . 41.6 t -109.21 143.25 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 115' ' ' PHE . 45.0 mt -92.19 123.29 35.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.939 0.399 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -44.46 -39.87 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.45 0.38 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.0 p -169.03 147.69 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.52 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -152.75 156.79 39.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 103' ' ' LEU . 60.2 m-85 -109.36 128.64 55.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.68 136.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 97' ' ' ILE . 25.6 tttp -118.06 117.06 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 14.8 m-85 -89.34 165.49 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -69.02 -34.93 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.9 p -141.64 140.73 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -44.52 -38.75 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.11 -59.58 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -50.23 -40.99 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.657 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -57.9 -40.09 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -68.98 -45.51 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.0 51.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 94' ' ' PHE . . . -87.33 -50.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.906 HD11 HD22 ' A' ' 73' ' ' LEU . 41.8 mt -61.82 -20.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -25.09 38.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 134' ' ' SER . 98.4 m -110.94 -10.88 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 132' ' ' HIS . 14.0 mt -100.52 -59.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 133' ' ' SER . 63.3 t60 -36.27 126.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' HIS . 5.6 t 33.53 40.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 130' ' ' THR . 46.0 m -100.19 -72.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.407 ' CB ' HH11 ' A' ' 135' ' ' ARG . 0.4 OUTLIER -99.78 161.95 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.0 m -123.02 96.08 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.641 HD13 ' HG2' ' A' ' 82' ' ' GLN . 20.6 mt -48.41 141.56 9.05 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.88 113.72 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 82.32 46.54 6.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.83 108.94 8.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.9 m -32.22 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 m -99.62 165.79 11.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.4 m -60.05 161.81 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.595 HD13 HD11 ' A' ' 137' ' ' LEU . 21.2 tp -55.26 116.63 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.5 t -86.01 116.96 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.572 HG22 HG13 ' A' ' 75' ' ' VAL . 17.3 t -134.63 131.57 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -166.64 156.66 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -53.12 123.34 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 72' ' ' LYS . 29.4 mtm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.9 ttpm? -36.73 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.863 HD22 HD11 ' A' ' 128' ' ' ILE . 47.1 mt -136.32 148.0 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -99.68 122.26 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -113.5 121.61 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.88 -176.13 16.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.797 ' HG3' HG23 ' A' ' 145' ' ' VAL . 22.3 mmt 61.32 32.95 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.8 mt -89.01 161.9 16.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.89 156.62 16.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -51.99 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.701 0.286 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -54.01 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.91 147.43 52.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -138.84 177.6 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' HB3' HG23 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -47.14 -47.73 23.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.29 -51.09 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -59.49 -68.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.6 t -41.17 -49.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.84 -58.48 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -63.37 -20.54 65.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttp -86.94 -21.26 26.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -99.27 -15.07 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.6 mt-10 -62.53 -42.14 77.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -14.64 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.543 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 71.5 m-85 -118.61 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.42 175.81 14.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 m -92.18 134.99 34.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.108 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 91' ' ' PHE . 48.1 mt -96.96 123.36 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -77.85 -45.42 24.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 10.9 tp10 -142.46 155.45 45.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.9 t -160.84 131.1 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.6 m -147.86 135.84 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.179 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 84' ' ' ASP . 64.8 t -98.91 137.44 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 115' ' ' PHE . 41.2 mt -86.81 146.93 26.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 60.0 mtm-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.976 0.417 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -48.2 -29.38 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.25 28.54 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.489 ' SG ' HD12 ' A' ' 103' ' ' LEU . 22.9 p -158.75 148.38 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.28 157.72 43.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' A' ' 103' ' ' LEU . 23.0 m-85 -113.04 128.89 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.0 t -119.93 129.96 74.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -114.98 105.83 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -75.86 151.75 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -52.92 -35.8 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.0 p -144.52 166.61 24.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 6.4 t-80 -63.73 -53.47 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.43 -67.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -48.7 -54.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -41.67 -39.14 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -72.97 -38.18 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.68 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.621 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.69 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.863 HD11 HD22 ' A' ' 73' ' ' LEU . 82.6 mt -42.02 -58.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.8 -39.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 131' ' ' LEU . 76.3 m -101.81 -72.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.621 HD12 ' HB1' ' A' ' 127' ' ' ALA . 17.4 mt -35.44 -52.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.1 t60 -40.72 118.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 25.0 t 51.76 47.69 24.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -99.1 -73.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -99.69 172.93 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 m -128.21 76.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 50.4 mt -40.47 152.34 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.54 129.51 15.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.65 16.86 56.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -123.36 111.34 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.4 t -32.44 -75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 65.8 m -95.45 178.04 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.5 p -62.29 -177.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.9 tp -70.83 131.01 43.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.797 HG23 ' HG3' ' A' ' 77' ' ' MET . 99.3 t -102.64 99.0 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.71 124.5 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -153.84 -179.59 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.486 ' HA ' HD23 ' A' ' 73' ' ' LEU . 61.0 m-85 -72.8 154.21 40.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HE2' ' CG ' ' A' ' 115' ' ' PHE . 35.2 tttt -51.5 121.43 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.673 HD21 ' HB1' ' A' ' 124' ' ' ALA . 44.2 mt -110.79 139.11 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -94.06 113.29 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -104.17 138.5 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -169.14 11.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.1 mmt 53.44 37.61 26.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.08 158.72 15.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.49 155.32 16.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -56.03 -45.61 79.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -47.21 -63.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.804 HE21 HD22 ' A' ' 137' ' ' LEU . 30.6 mm-40 -45.48 151.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.7 p -132.76 176.88 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -35.67 60.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -64.71 -43.08 94.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.17 -74.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -41.03 -48.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 97' ' ' ILE . 22.4 ttp180 -54.53 -68.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.27 -21.64 35.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttp -83.73 -23.06 31.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -102.34 -8.71 20.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 46.6 mt-10 -64.74 -42.19 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.91 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.439 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 64.5 m-85 -118.57 31.11 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 125.75 166.16 12.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 m -82.47 135.6 35.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.097 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 88' ' ' ARG . 73.6 mt -96.16 119.9 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.45 -43.62 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -137.88 140.43 40.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 t -151.46 124.41 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.2 m -146.63 136.97 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 114' ' ' ALA . 3.3 t -95.49 125.27 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.619 HD11 ' CE2' ' A' ' 115' ' ' PHE . 85.6 mt -65.58 112.52 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -49.8 -20.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.72 27.27 8.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.36 138.32 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.642 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -140.61 144.59 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CE2' HD11 ' A' ' 103' ' ' LEU . 40.1 m-85 -96.56 125.69 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 56.7 t -116.43 119.84 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -106.2 101.93 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -70.43 170.07 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.84 -37.14 86.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 69.5 p -146.33 173.71 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 2.4 t-80 -61.15 -62.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.61 -63.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -44.85 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.673 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -55.83 -37.97 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.71 -49.59 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.2 -54.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.406 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.25 -68.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.3 mt -42.34 -56.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.0 t-20 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LEU . 28.7 m -104.86 -71.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' THR . 11.4 mt -34.4 -57.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 40.4 t60 -35.18 107.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 t 59.01 50.5 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 131' ' ' LEU . 2.1 t -99.46 -74.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -99.51 177.28 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.0 m -133.96 77.48 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.804 HD22 HE21 ' A' ' 82' ' ' GLN . 60.0 mt -36.92 141.85 0.38 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.52 118.63 3.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.02 53.22 4.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.05 110.58 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.0 m -32.4 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.9 m -100.18 -175.1 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -71.56 171.95 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.83 108.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.6 122.74 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 t -136.81 114.36 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -144.74 -176.91 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -78.23 143.05 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -40.1 143.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 128' ' ' ILE . 75.0 mt -127.64 138.43 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -90.19 108.78 19.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.16 131.32 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.25 -178.03 15.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.7 mmt 60.26 41.89 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 137' ' ' LEU . 31.4 mt -98.71 163.43 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.68 157.53 20.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.73 -45.23 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -43.59 -52.15 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -76.04 144.82 40.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -133.49 172.22 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -43.35 -39.51 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.18 -48.34 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -62.95 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.19 -58.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 35.6 ttt180 -48.26 -62.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -59.35 -22.22 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.0 ttp -85.9 -20.6 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.539 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.6 m-85 -101.66 -12.82 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 53.8 mm-40 -63.48 -42.18 71.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.96 -14.53 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.45 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 67.4 m-85 -118.67 31.09 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.23 176.66 14.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.6 m -91.53 140.76 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 91' ' ' PHE . 95.0 mt -100.05 134.09 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -96.38 -43.36 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -137.32 147.29 45.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 t -160.8 138.64 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.2 m -163.08 142.05 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.28 146.99 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 115' ' ' PHE . 25.4 mt -100.87 132.29 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' LYS . 29.5 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' SER . 9.3 mmtp -37.47 -40.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.4 28.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -161.29 153.52 19.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.05 162.48 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 103' ' ' LEU . 18.1 m-85 -108.13 122.86 47.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.6 t -119.21 128.16 75.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -116.27 126.01 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -92.11 166.91 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -72.41 -39.76 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.7 p -135.39 139.36 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 122' ' ' ALA . 19.3 t60 -40.86 -57.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.77 -66.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -46.54 -53.06 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.3 -50.05 12.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -62.23 -47.37 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.95 -50.92 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -53.83 -59.25 4.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 73' ' ' LEU . 63.4 mt -51.86 -52.58 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.8 t30 -35.04 -41.23 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 131' ' ' LEU . 64.1 m -105.86 -67.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.641 HD12 ' HB1' ' A' ' 127' ' ' ALA . 25.7 mt -36.95 -50.84 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.54 ' HB2' HG23 ' A' ' 128' ' ' ILE . 46.5 t60 -41.42 113.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.4 m 52.06 46.08 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t -95.43 -74.77 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -99.95 176.03 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 137' ' ' LEU . 22.6 m -131.55 82.08 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.688 ' CD1' HD23 ' A' ' 78' ' ' LEU . 51.1 mt -36.33 142.71 0.32 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.3 117.2 2.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.0 52.29 5.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.59 109.25 7.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.2 t -31.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 t -100.05 172.76 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.1 m -62.72 -179.81 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.65 97.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.93 97.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.696 HG12 HG12 ' A' ' 128' ' ' ILE . 22.1 t -108.25 113.41 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -149.7 154.12 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -58.42 131.65 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.6 mtt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' ARG . 11.5 ttpt -34.9 137.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.562 HD21 ' HB1' ' A' ' 124' ' ' ALA . 67.9 mt -121.21 143.1 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -101.5 112.09 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.23 149.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.91 178.43 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 61.31 45.89 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 137' ' ' LEU . 46.1 mt -99.77 167.81 10.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.85 156.88 16.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' GLN . 3.9 tppp? -55.34 -53.26 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.2 mp0 -35.78 -65.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.41 HE21 HD22 ' A' ' 137' ' ' LEU . 40.0 mm-40 -50.69 154.3 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.422 HG23 ' HB3' ' A' ' 85' ' ' GLU . 7.1 t -137.19 168.53 19.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' CG ' HG23 ' A' ' 102' ' ' VAL . 2.4 m-20 -47.27 -26.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HB3' HG23 ' A' ' 83' ' ' THR . 20.0 tt0 -72.49 -44.37 62.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.18 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.38 -54.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.17 -66.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -59.48 -20.54 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.7 ttp -83.06 -23.24 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.462 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.1 m-85 -105.24 -4.69 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.5 mt-10 -67.64 -42.23 34.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.94 -14.52 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -118.61 31.26 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.2 171.48 13.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.7 m -91.13 136.7 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 117' ' ' LYS . 57.0 mt -98.83 136.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -95.27 -31.68 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -150.01 164.26 35.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.6 t -171.92 136.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.1 m -153.8 130.34 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.47 HG23 ' CG ' ' A' ' 84' ' ' ASP . 59.8 t -89.08 121.86 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 115' ' ' PHE . 80.1 mt -67.67 137.82 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -53.01 -24.59 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.66 24.29 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -145.72 156.8 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 102' ' ' VAL . . . -160.09 154.12 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 103' ' ' LEU . 42.5 m-85 -101.87 126.8 48.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -116.2 120.65 65.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 97' ' ' ILE . 18.9 ttpp -102.48 112.03 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -85.23 163.94 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.32 -36.42 81.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.7 p -147.78 163.12 37.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 122' ' ' ALA . 24.6 t60 -60.05 -56.77 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.13 -51.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 13.0 mm-40 -62.13 -54.71 37.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.562 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -43.15 -49.58 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.62 84.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -51.06 -55.32 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.467 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -52.75 -68.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.577 HD12 ' CE1' ' A' ' 148' ' ' PHE . 20.0 mt -40.48 -55.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -38.87 -39.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 131' ' ' LEU . 53.8 m -108.13 -69.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.467 HD12 ' HB1' ' A' ' 127' ' ' ALA . 9.6 mt -36.14 -51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 26.9 t60 -39.79 116.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.8 t 45.67 52.03 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 t -99.58 -74.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -99.97 174.66 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.7 m -134.21 87.62 2.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 78' ' ' LEU . 32.9 mt -46.25 142.88 3.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.35 117.23 2.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.39 54.64 3.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.73 110.0 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.5 t -32.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -99.45 -175.35 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.1 m -74.28 179.98 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.77 93.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -70.23 118.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.525 HG12 HG12 ' A' ' 128' ' ' ILE . 9.6 t -130.04 121.73 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -145.47 -179.31 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.577 ' CE1' HD12 ' A' ' 128' ' ' ILE . 67.9 m-85 -84.15 152.41 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.7 p 44.88 41.92 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 t -174.04 138.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.18 -66.13 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 t -63.88 -54.84 28.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.0 p -65.55 125.99 26.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.97 78.26 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.1 m -123.69 148.29 46.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -94.26 148.24 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.19 78.14 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -70.61 81.01 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -149.65 111.16 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -49.65 -56.82 8.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -39.42 144.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 128' ' ' ILE . 28.2 mt -134.08 154.42 51.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -109.23 111.48 23.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 91' ' ' PHE . 60.5 t -99.77 144.26 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.35 -171.8 12.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.0 mmt 52.89 42.58 32.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.4 mt -94.63 148.88 21.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.81 155.35 16.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -51.92 -30.13 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -66.49 -47.88 71.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.613 ' HG3' HD13 ' A' ' 137' ' ' LEU . 45.2 mm-40 -72.18 132.13 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 38.6 p -136.75 175.46 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' THR . 0.5 OUTLIER -37.47 -41.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.28 -58.53 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' MET . 21.3 m-20 -58.07 -62.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.406 HG13 ' CE1' ' A' ' 91' ' ' PHE . 84.1 t -48.38 -48.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -56.6 -59.77 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -66.58 -18.03 65.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' ASP . 10.5 ttp -88.91 -24.0 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.439 ' CE2' HG21 ' A' ' 75' ' ' VAL . 4.7 m-85 -100.36 -21.95 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 21.2 mm-40 -58.37 -42.21 93.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.1 Cg_exo -47.94 -15.27 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.425 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.1 m-85 -118.99 31.14 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.25 163.18 10.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.2 m -88.14 115.02 25.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' A' ' 92' ' ' GLU . 78.1 mt -80.54 140.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.23 -43.95 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -130.54 123.1 28.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.6 t -134.28 117.97 17.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -127.56 131.5 50.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.44 140.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 115' ' ' PHE . 89.0 mt -90.82 108.52 19.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -127.19 165.8 18.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.56 -146.22 20.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.29 -45.6 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' GLY . 4.0 m-20 -83.53 39.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' ASP . . . 36.55 39.69 0.38 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.423 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.7 m -97.47 123.83 41.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 t -58.97 96.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -46.55 -34.32 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.23 33.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.405 ' SG ' HD12 ' A' ' 103' ' ' LEU . 1.8 p -164.49 148.3 9.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.12 143.57 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.515 ' CE2' HD11 ' A' ' 103' ' ' LEU . 75.3 m-85 -97.76 137.71 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 135.69 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -120.7 99.45 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.54 169.48 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -66.3 -32.77 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 65.0 p -149.95 161.79 41.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 124' ' ' ALA . 12.2 t-80 -57.62 -60.3 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.01 -43.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.27 -39.2 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 121' ' ' HIS . . . -56.14 -55.17 36.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -55.76 -44.01 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.13 -59.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.85 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.841 HD11 HD22 ' A' ' 73' ' ' LEU . 78.2 mt -42.38 -57.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 128' ' ' ILE . 6.5 t30 -34.46 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LEU . 75.2 m -108.37 -71.88 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.635 HD12 ' HB1' ' A' ' 127' ' ' ALA . 16.2 mt -34.35 -38.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.2 t60 -52.07 115.18 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.2 t 47.47 44.39 16.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 t -91.71 -75.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -99.55 171.25 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.1 m -122.27 83.61 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.613 HD13 ' HG3' ' A' ' 82' ' ' GLN . 33.8 mt -39.26 148.63 0.27 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.8 133.86 13.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.97 59.37 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -135.2 112.08 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 7.2 m -32.01 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -99.57 -176.93 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.5 m -78.26 174.28 11.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.1 tp -54.52 101.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 83.4 t -78.81 102.48 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 128' ' ' ILE . 6.6 t -115.67 121.88 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -154.65 143.34 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -39.49 149.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -98.45 165.83 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -128.22 130.24 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 152' ' ' GLU . 19.4 m -110.77 131.86 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 151' ' ' THR . 8.2 mm-40 -36.27 131.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.12 -177.23 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -130.78 88.28 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 88.1 p -109.36 137.66 46.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 163.03 177.72 36.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.58 143.91 5.62 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 t -82.86 -49.01 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 95.1 p -117.89 96.65 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -149.0 147.79 28.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.827 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.2 m -131.27 147.01 52.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.19 101.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.6 p -71.62 -44.88 63.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 t 46.01 44.77 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.43 149.84 17.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.7 p -109.98 -50.28 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -118.91 -57.78 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.96 -117.22 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -134.52 107.08 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.4 176.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -131.42 -48.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -56.11 143.53 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.646 HD22 HD11 ' A' ' 128' ' ' ILE . 86.9 mt -121.92 155.71 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -107.7 112.89 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG21 ' CE2' ' A' ' 91' ' ' PHE . 41.8 t -104.41 140.34 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.04 -171.53 12.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.7 mmt 56.7 33.84 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.0 mt -88.78 161.46 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.06 158.27 16.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -51.72 -48.56 63.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -48.26 -52.12 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.26 129.57 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 11.8 t -126.06 170.88 11.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' THR . 3.2 m-20 -36.48 -47.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -53.76 -53.85 46.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.89 -70.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 85.8 t -41.9 -58.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 22.5 ttm180 -48.72 -63.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -57.92 -22.72 50.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.467 ' SD ' ' CZ ' ' A' ' 135' ' ' ARG . 19.3 ttp -87.98 -19.67 26.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 75' ' ' VAL . 3.7 m-85 -103.39 -14.32 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.637 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 13.9 mt-10 -64.14 -42.17 66.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -47.99 -15.13 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 131.02 172.67 13.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' GLN . 13.2 m -95.85 125.56 40.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 117' ' ' LYS . 77.7 mt -86.57 135.79 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 3.4 t70 -95.64 -41.77 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HG2' ' C ' ' A' ' 98' ' ' ASP . 20.6 mm-40 -145.4 129.62 17.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 28.4 t -133.56 120.32 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.5 m -134.85 134.41 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 114' ' ' ALA . 45.4 t -100.36 139.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 115' ' ' PHE . 88.2 mt -84.98 139.85 31.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -146.37 166.88 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.48 -179.06 43.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.68 -51.62 7.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -63.35 -40.08 96.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.45 38.94 0.96 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.7 m -101.89 134.27 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.327 . . . . 0.0 111.182 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 t -58.55 88.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -41.9 -29.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.43 37.05 1.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 5.1 p -167.66 154.0 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -158.09 157.73 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 103' ' ' LEU . 74.7 m-85 -105.83 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.12 122.74 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 97' ' ' ILE . 2.8 ttpp -102.57 129.77 49.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.71 162.87 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.4 tt0 -62.98 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.8 p -139.9 139.95 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 122' ' ' ALA . 3.9 t-80 -40.73 -58.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.54 -49.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.46 -53.01 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -44.54 -55.83 4.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.063 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -45.33 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.55 -42.66 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.472 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -62.89 -58.91 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.646 HD11 HD22 ' A' ' 73' ' ' LEU . 68.4 mt -49.64 -57.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 2.6 t30 -37.05 -38.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.2 m -101.88 -71.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' ' 146' ' ' VAL . 20.0 mt -38.32 -53.0 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 34.6 t60 -34.64 122.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.9 m 38.45 51.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t -95.38 -74.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.467 ' CZ ' ' SD ' ' A' ' 90' ' ' MET . 15.1 ptp180 -99.26 178.37 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.3 m -132.74 77.2 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 136' ' ' THR . 26.8 mt -36.22 143.68 0.28 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.707 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.75 124.36 8.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.18 54.59 12.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.94 111.66 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.7 m -32.38 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.1 m -100.03 -175.06 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.6 m -80.29 160.46 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.7 tp -41.46 112.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.63 97.97 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 131' ' ' LEU . 12.1 t -103.09 127.45 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.3 179.26 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 128' ' ' ILE . 63.0 m-85 -83.32 158.24 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -102.9 170.67 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 65.27 32.98 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 151' ' ' THR . 14.7 t -97.19 126.5 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -133.72 142.25 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 42.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.95 130.44 39.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.2 m -168.36 123.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -103.03 146.15 16.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.33 117.43 4.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.5 t -99.48 85.73 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.8 m -58.22 122.27 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -149.11 152.15 35.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 p -134.73 -48.5 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.814 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.59 -108.41 0.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.1 m -135.94 164.16 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.8 p -96.53 7.04 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.42 -131.09 26.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 p -122.34 -177.49 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -105.19 37.34 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -109.67 104.35 1.87 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -88.24 43.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -110.29 122.24 47.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.8 mtm-85 -66.41 -43.99 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 7.7 ttpt -58.18 156.39 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 128' ' ' ILE . 23.2 mt -141.19 131.23 24.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -86.81 121.05 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 93.9 t -113.95 137.29 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.36 179.9 16.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 62.27 46.69 5.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.4 mt -102.09 161.69 13.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.31 161.74 13.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -48.14 -47.84 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -51.83 -54.43 29.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.622 ' NE2' HD22 ' A' ' 137' ' ' LEU . 10.0 mp0 -67.68 112.56 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.7 p -121.06 176.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -38.89 -42.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.19 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.22 -72.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 91' ' ' PHE . 82.8 t -39.09 -41.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 18.4 ttp180 -61.27 -62.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -61.51 -20.67 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.0 ttp -85.1 -22.81 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -98.54 -14.83 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 11.8 mt-10 -60.6 -42.27 87.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -15.0 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -119.02 31.1 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.21 176.5 14.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -93.25 131.1 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 91' ' ' PHE . 89.6 mt -93.07 130.99 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -101.47 -45.5 5.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -128.3 128.85 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.2 t -141.38 129.19 21.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 102' ' ' VAL . 72.8 m -145.19 159.15 43.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.514 ' N ' HG22 ' A' ' 101' ' ' THR . 96.6 t -119.45 131.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD21 ' CE2' ' A' ' 115' ' ' PHE . 39.1 mt -82.35 144.48 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -139.35 167.57 21.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.59 176.31 35.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.36 -30.98 6.02 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.294 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.44 -46.82 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.35 -19.48 5.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 77.6 p -65.21 136.98 57.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.4 p -59.49 110.99 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -58.49 -34.67 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.15 23.49 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.3 m -141.39 156.37 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.71 162.86 40.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 103' ' ' LEU . 23.9 m-85 -114.17 123.73 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.54 137.17 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -121.86 120.85 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -92.2 154.56 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -53.27 -41.57 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -136.41 163.9 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.592 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 2.6 t-80 -61.22 -55.88 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.24 -66.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -48.86 -36.12 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . -57.75 -53.81 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -42.5 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.8 -63.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.4 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -40.96 -67.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.694 HD11 HD22 ' A' ' 73' ' ' LEU . 80.7 mt -40.9 -57.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' ILE . 19.8 t-20 -35.05 -44.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 98.9 m -102.73 -71.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.635 ' HB3' HG21 ' A' ' 146' ' ' VAL . 9.8 mt -34.52 -53.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 39.7 t60 -35.67 116.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 144' ' ' LEU . 2.8 m 39.33 52.89 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.9 t -92.14 -74.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -99.47 175.47 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.1 m -129.95 77.0 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.622 HD22 ' NE2' ' A' ' 82' ' ' GLN . 74.0 mt -37.63 143.13 0.39 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.71 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.19 117.79 2.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.26 5.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.0 110.31 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 111.075 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.1 m -31.95 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 27.6 p -99.94 -175.56 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -73.18 -179.11 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.4 tp -66.67 97.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.55 110.76 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.635 HG21 ' HB3' ' A' ' 131' ' ' LEU . 25.1 t -123.07 130.78 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -158.78 -179.26 7.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -74.93 151.84 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.423 ' CB ' ' HE2' ' A' ' 72' ' ' LYS . . . -85.14 163.66 18.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -125.84 93.41 3.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 77.4 p -144.91 112.79 6.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.188 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -81.05 122.09 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -83.02 -61.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.11 149.85 26.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 29.8 t -97.44 -52.86 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 131.73 71.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.98 -30.54 4.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.4 m -115.93 174.71 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -92.3 158.0 16.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -152.22 123.74 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -143.02 163.92 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.95 160.83 9.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.0 p -136.91 176.01 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.825 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.0 p -131.34 101.83 5.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -104.19 124.54 8.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -108.0 104.06 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -117.13 101.58 8.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.83 -64.59 0.44 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 61.64 43.1 10.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.58 116.33 28.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -65.51 -60.88 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 73' ' ' LEU . 16.4 ttpp -47.31 142.61 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.936 HD22 HD11 ' A' ' 128' ' ' ILE . 58.0 mt -129.84 127.69 40.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -79.55 122.42 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -114.27 143.39 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.08 14.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.4 mmt 61.39 34.13 18.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.4 mt -90.51 150.95 21.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.29 146.4 18.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -39.51 -40.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.6 -49.67 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.536 ' HG2' HD13 ' A' ' 137' ' ' LEU . 7.6 mp0 -73.83 134.49 43.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 t -125.52 -179.64 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.13 -43.19 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.52 -36.47 76.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -70.56 -65.49 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.7 t -47.34 -46.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 28.8 ttt180 -56.88 -64.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.19 -20.04 62.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.6 ttp -84.96 -22.26 29.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.5 m-85 -100.12 -15.92 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 23.3 mt-10 -58.99 -42.17 92.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.588 0.708 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.7 Cg_exo -48.01 -15.08 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.674 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 59.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.67 175.77 14.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 119' ' ' GLN . 56.4 m -95.47 118.14 31.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 91' ' ' PHE . 81.1 mt -78.01 125.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -87.46 -49.02 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -135.5 127.58 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 36.5 t -126.32 109.93 12.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -120.28 141.52 49.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 114' ' ' ALA . 80.2 t -118.22 137.23 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.741 HD12 ' SG ' ' A' ' 113' ' ' CYS . 58.7 mt -86.6 115.99 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -132.39 169.88 15.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.97 -150.73 5.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.43 136.71 11.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.9 t70 61.37 31.27 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 44.88 43.26 8.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -86.89 117.71 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.2 t -61.31 101.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.73 -28.23 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.91 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 103' ' ' LEU . 28.3 p -161.66 152.47 17.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.413 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -162.42 153.55 17.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 103' ' ' LEU . 51.3 m-85 -104.86 133.23 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.27 129.85 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -113.2 125.83 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -93.73 166.38 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.6 tt0 -61.76 -37.5 84.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.0 p -142.53 139.37 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 12.8 t60 -38.65 -53.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -40.73 -68.14 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 42.5 mt-10 -36.37 -50.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -47.97 -61.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.63 -40.86 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -55.79 -57.06 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 94' ' ' PHE . . . -58.45 -53.77 54.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.936 HD11 HD22 ' A' ' 73' ' ' LEU . 64.4 mt -47.36 -58.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -41.41 -35.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 131' ' ' LEU . 89.4 m -101.67 -73.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.639 HD13 ' CE1' ' A' ' 91' ' ' PHE . 12.4 mt -34.97 -37.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.7 t60 -56.49 118.93 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 m 44.89 48.08 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -96.34 -70.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 135' ' ' ARG . 4.7 ptp180 -100.03 174.68 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.5 m -132.58 75.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.536 HD13 ' HG2' ' A' ' 82' ' ' GLN . 28.4 mt -37.96 141.99 0.47 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.11 128.96 17.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.45 43.04 54.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -132.82 109.89 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 11.9 p -31.89 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.3 t -100.2 -174.94 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.5 p -80.09 153.05 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 143' ' ' SER . 9.9 tp -35.22 115.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.44 104.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 131' ' ' LEU . 81.4 t -117.93 123.65 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -156.03 165.63 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -63.34 140.21 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -97.28 128.64 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -91.11 115.41 28.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 13.0 t -61.15 159.96 11.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -100.6 132.49 45.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 -50.82 4.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 155' ' ' SER . 9.8 mm-40 -147.91 174.77 11.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 154' ' ' GLU . 43.1 t -37.26 149.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -75.83 -92.68 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.09 93.1 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.7 t -63.56 83.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.4 t -47.0 -56.75 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.4 m -144.15 175.69 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -129.35 -58.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -136.73 50.14 0.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -128.76 126.54 40.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.1 m -59.66 -59.81 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.06 -153.41 29.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 p -81.63 172.91 12.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -79.73 160.65 26.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 -140.95 47.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -156.56 114.35 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -121.19 116.8 25.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 121' ' ' HIS . 16.5 mmt85 -76.97 -61.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 115' ' ' PHE . 43.0 tttt -47.69 139.38 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.844 HD22 HD11 ' A' ' 128' ' ' ILE . 32.3 mt -127.43 158.85 36.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -115.24 128.8 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.472 HG13 HG22 ' A' ' 146' ' ' VAL . 17.1 t -119.95 148.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.15 -162.32 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.6 mmt 45.31 32.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 144' ' ' LEU . 57.3 mt -86.94 162.55 17.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.74 155.53 16.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -50.87 -46.47 60.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.291 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -47.07 -55.69 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.432 ' HG3' HD22 ' A' ' 137' ' ' LEU . 36.3 mm-40 -67.39 141.85 56.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.6 p -136.68 175.81 9.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.617 ' CG ' HG23 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -42.57 -39.77 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.16 -62.21 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -53.73 -53.84 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.52 -53.24 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.625 ' HA ' HD13 ' A' ' 97' ' ' ILE . 45.5 ttt180 -55.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -58.97 -22.08 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttp -85.18 -21.22 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.615 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.5 m-85 -104.73 -6.87 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.4 mt-10 -68.2 -42.16 28.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -48.0 -15.2 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.48 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.8 m-85 -119.01 31.1 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.17 170.89 12.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.0 m -91.1 123.08 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 88' ' ' ARG . 70.3 mt -88.22 123.39 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -94.68 -46.17 7.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -125.6 124.71 41.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.0 t -141.09 121.63 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.2 m -143.6 145.24 32.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.617 HG23 ' CG ' ' A' ' 84' ' ' ASP . 73.5 t -103.19 151.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 115' ' ' PHE . 43.3 mt -103.22 129.57 50.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -134.93 -175.67 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -91.93 -148.57 22.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.03 -49.01 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.24 -45.89 58.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 138.5 33.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.0 p -90.01 134.6 34.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.837 0.351 . . . . 0.0 111.099 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 t -67.98 92.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -44.91 -39.35 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.62 30.87 1.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.3 p -161.92 152.0 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.32 162.04 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.517 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 30.1 m-85 -106.41 136.29 46.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.0 t -128.4 126.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -112.33 137.49 50.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -107.08 170.01 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -70.34 -41.29 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 121' ' ' HIS . 70.8 p -135.84 137.68 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.533 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 9.6 t60 -37.23 -57.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.61 -67.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.15 -41.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . -57.28 -62.22 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 126' ' ' ALA . 4.8 tp-100 -41.17 -55.9 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 125' ' ' GLN . . . -36.16 -62.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.519 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -47.47 -67.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.844 HD11 HD22 ' A' ' 73' ' ' LEU . 19.6 mt -38.97 -59.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' ILE . 53.1 t-20 -36.39 -38.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' HIS . 99.0 m -105.7 -72.29 0.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.519 HD12 ' HB1' ' A' ' 127' ' ' ALA . 14.9 mt -34.24 -35.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 62.0 t60 -53.37 110.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.8 p 52.75 30.2 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.4 p -70.46 -74.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -99.95 171.61 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.9 m -124.31 80.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' A' ' 82' ' ' GLN . 82.6 mt -36.3 143.93 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.3 128.41 14.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 62.11 56.48 22.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.99 110.14 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 140' ' ' ALA . 31.1 t -31.94 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -179.07 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 69.8 m -75.01 176.93 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.498 HD11 HD21 ' A' ' 78' ' ' LEU . 17.7 tp -61.82 89.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.84 122.09 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 144' ' ' LEU . 5.9 t -134.67 136.73 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -165.96 145.16 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -40.02 158.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -123.57 91.74 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -95.96 133.58 40.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 86.2 m -121.61 -46.38 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -146.19 120.79 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -51.88 128.03 22.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -86.56 118.26 25.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 31.1 t -132.85 118.23 18.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -44.63 144.49 2.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.86 147.6 4.64 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.308 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.4 t -95.72 156.22 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 93.2 p -92.68 -46.35 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.5 m -88.12 148.53 24.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 t -60.47 -60.29 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.36 135.56 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.2 m -65.95 -43.97 86.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 t -107.34 117.74 34.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.62 -125.63 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 t -118.77 78.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.813 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -86.77 147.13 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.62 113.07 0.57 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -119.65 92.5 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER 62.06 39.51 13.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' ASP . 15.7 mtt85 -35.3 -44.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -40.33 136.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 124' ' ' ALA . 18.9 mt -125.18 144.3 50.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -100.87 115.33 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.39 135.51 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.51 175.19 17.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.5 mmt 62.51 46.9 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 144' ' ' LEU . 94.1 mt -101.17 158.53 15.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.02 156.51 16.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -44.77 -42.26 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.698 0.285 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -50.87 -54.84 20.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -73.69 122.55 22.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 64.1 p -127.82 174.57 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 34.3 t0 -36.88 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' THR . 2.5 tp10 -72.7 -61.16 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.54 -50.82 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -55.33 -39.8 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' O ' HD12 ' A' ' 97' ' ' ILE . 32.5 ttt180 -69.95 -55.08 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -66.42 -20.07 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttp -87.77 -20.54 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.707 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.6 m-85 -102.47 -15.17 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.5 mm-40 -62.86 -42.19 76.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.3 Cg_exo -48.01 -15.06 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.495 ' HE2' HD21 ' A' ' 131' ' ' LEU . 62.3 m-85 -119.11 31.18 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.24 176.79 14.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.7 m -93.32 128.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.707 HD11 ' HB2' ' A' ' 91' ' ' PHE . 75.6 mt -95.01 117.92 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.19 -49.23 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -127.26 148.01 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.0 t -162.63 138.25 7.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 102' ' ' VAL . 93.3 m -155.91 153.1 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' N ' HG22 ' A' ' 101' ' ' THR . 47.3 t -115.45 128.99 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 115' ' ' PHE . 40.5 mt -76.05 122.14 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -131.07 173.63 10.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.26 -154.29 17.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.75 5.32 4.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -123.06 27.47 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 39.71 32.15 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 62.1 m -105.37 125.05 50.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.7 p -59.06 93.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -38.87 -33.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.36 19.06 2.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.66 140.52 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.87 150.41 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 103' ' ' LEU . 44.3 m-85 -101.07 136.73 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.27 131.24 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 97' ' ' ILE . 46.7 tttp -115.18 118.48 33.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -89.04 162.35 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -66.53 -36.34 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 64.1 p -142.43 147.96 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -50.76 -50.31 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.55 -56.42 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.17 -50.39 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.43 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -46.9 -51.61 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 125' ' ' GLN . 6.4 tp60 -55.94 -41.28 74.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.23 -57.63 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.686 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -51.31 -63.71 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.6 mt -42.76 -61.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 128' ' ' ILE . 59.7 t-20 -34.96 -44.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 131' ' ' LEU . 93.1 m -100.51 -72.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.686 HD12 ' HB1' ' A' ' 127' ' ' ALA . 15.2 mt -35.2 -53.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.3 t60 -35.61 126.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 144' ' ' LEU . 44.4 t 34.59 53.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.4 t -95.86 -74.68 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 143' ' ' SER . 5.5 ptp85 -99.9 179.35 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.3 m -134.32 79.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.2 mt -39.38 142.26 0.61 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.7 126.16 12.18 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.96 43.78 32.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.57 109.43 8.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.0 m -32.06 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -100.1 -175.0 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 135' ' ' ARG . 3.2 p -83.08 160.07 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.0 tp -39.55 122.05 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.85 96.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.48 121.78 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -148.46 169.57 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -67.78 140.33 56.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -90.61 113.25 25.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.8 p30 -116.42 148.1 41.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.0 t -99.89 129.82 46.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -91.46 115.47 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -92.91 -39.52 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -127.28 157.37 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.6 t -97.37 -52.59 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 164.96 157.29 9.57 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.06 -27.37 6.88 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.258 . . . . 0.0 112.3 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.8 m -150.71 141.06 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.4 p -97.78 42.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -72.13 -45.33 60.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 t -113.92 129.99 56.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.82 65.16 3.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.1 m -62.02 119.99 9.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.0 m -92.04 104.69 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -108.08 108.25 2.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 m -154.1 165.36 36.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -93.69 -61.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.71 81.53 1.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -123.57 115.21 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.63 145.71 51.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -90.18 -49.66 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -48.43 126.6 11.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 128' ' ' ILE . 81.4 mt -108.58 147.84 31.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -100.22 107.57 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.5 t -95.11 146.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.57 -171.51 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.96 39.01 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -94.68 158.81 15.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.9 153.66 16.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.473 ' HZ2' ' HA ' ' A' ' 109' ' ' THR . 21.4 mtpp -50.18 -41.98 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -43.77 -50.46 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -67.41 151.06 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 p -134.71 158.71 43.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -40.18 -30.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.75 -50.82 47.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' VAL . 59.2 m-20 -52.85 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ASP . 95.8 t -38.11 -48.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -53.65 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.56 -17.68 64.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.417 ' SD ' ' NH1' ' A' ' 135' ' ' ARG . 26.2 ttp -86.04 -24.21 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.632 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -102.8 -13.63 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 18.0 mm-40 -61.64 -42.25 82.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.2 Cg_exo -47.94 -15.16 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 60.9 m-85 -118.98 31.12 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.92 173.05 13.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.5 m -93.1 123.66 36.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 91' ' ' PHE . 68.0 mt -91.27 124.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 -36.39 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 100' ' ' CYS . 5.3 tm-20 -137.12 145.68 44.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 99' ' ' GLU . 53.5 t -153.0 131.14 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.5 m -154.28 145.03 22.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 114' ' ' ALA . 86.7 t -107.86 144.67 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 115' ' ' PHE . 53.2 mt -94.01 124.16 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -131.41 173.89 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -87.72 164.42 34.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -45.51 -27.72 3.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -84.33 -48.4 9.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.63 -22.32 2.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.473 ' HA ' ' HZ2' ' A' ' 80' ' ' LYS . 56.3 m -55.2 111.19 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m -50.52 116.65 2.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -62.91 -36.79 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.29 41.85 0.62 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -163.87 150.93 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB2' HG22 ' A' ' 102' ' ' VAL . . . -156.28 153.38 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 103' ' ' LEU . 61.5 m-85 -102.17 125.65 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.445 HG11 ' CD2' ' A' ' 91' ' ' PHE . 72.1 t -115.86 109.33 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 97' ' ' ILE . 8.9 ttmm -91.24 122.69 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 11.4 m-85 -95.65 167.59 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -67.99 -34.1 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.8 p -149.12 162.01 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.71 -44.89 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.16 -71.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -42.27 -50.23 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.452 ' HA ' ' CD2' ' A' ' 118' ' ' PHE . . . -48.55 -44.95 36.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.02 -40.39 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -49.26 -69.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.48 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -36.29 -63.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.501 HD11 HD22 ' A' ' 73' ' ' LEU . 57.2 mt -39.89 -63.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' ILE . 12.9 t-20 -35.79 -44.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LEU . 48.2 m -96.52 -74.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.48 HD12 ' HB1' ' A' ' 127' ' ' ALA . 10.5 mt -34.9 -59.01 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.7 t60 -37.51 117.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t 50.9 45.61 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.6 t -95.94 -75.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.417 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 9.2 ptm180 -100.04 177.51 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 m -132.69 85.13 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.65 152.57 0.89 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.6 126.14 11.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.614 2.209 . . . . 0.0 112.374 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.06 18.23 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.91 112.03 17.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.6 t -32.39 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.3 m -95.65 -174.98 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.2 m -72.83 -175.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.0 tp -70.92 125.72 27.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.25 111.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 t -119.67 109.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.44 141.89 35.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -44.65 132.24 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -73.87 167.93 20.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -103.11 136.64 42.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 85.9 m -132.84 -51.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -54.21 94.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -100.47 150.81 22.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -174.98 135.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 36.5 p -41.51 154.17 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 71.1 96.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.69 92.22 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.292 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.6 m -140.16 111.87 7.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 80.1 p -111.93 127.17 55.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.3 m -159.81 174.35 14.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' GLY . 68.8 m -99.81 102.73 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 38.2 -147.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.5 p -78.26 118.68 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.3 p -81.7 -39.52 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.43 155.66 9.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.523 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -119.83 -46.07 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -55.75 133.79 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.01 133.33 1.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -102.79 -14.98 16.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -62.81 137.9 58.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -119.53 43.97 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -127.49 138.57 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.696 HD22 HD11 ' A' ' 128' ' ' ILE . 64.2 mt -120.99 132.66 55.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -88.75 110.1 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.419 ' CG1' HD11 ' A' ' 144' ' ' LEU . 47.4 t -98.0 141.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.457 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -139.17 179.34 18.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.521 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.26 50.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.342 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.79 146.35 29.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.91 149.37 19.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -59.24 -18.98 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -73.56 -42.96 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -69.77 153.18 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -136.97 174.95 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -45.59 -52.56 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -46.4 -53.07 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.22 -69.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.01 -59.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.46 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 8.9 ttm180 -51.49 -55.74 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -61.53 -23.19 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.7 ttp -86.01 -20.46 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.482 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.4 m-85 -99.94 -19.29 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 6.9 mm-40 -57.65 -42.48 95.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.96 -14.86 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 69.4 m-85 -118.81 31.17 6.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.74 176.39 14.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 m -92.54 139.1 30.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.69 0.281 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.482 HD11 ' HB2' ' A' ' 91' ' ' PHE . 97.0 mt -99.97 120.66 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.63 -39.61 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -136.74 140.64 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 45.4 t -152.96 118.54 5.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.4 m -135.64 144.91 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.66 136.3 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 115' ' ' PHE . 25.3 mt -92.93 130.22 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -141.91 -178.85 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.73 -149.25 5.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.425 ' O ' HG23 ' A' ' 109' ' ' THR . 71.2 Cg_exo -45.54 147.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 50.14 33.1 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.31 34.61 26.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 106' ' ' PRO . 46.4 p -75.48 114.82 14.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.146 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 t -62.61 109.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -56.52 -25.78 52.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.01 30.93 6.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.84 138.49 16.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.09 151.07 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 103' ' ' LEU . 42.0 m-85 -104.08 116.55 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.8 t -107.05 137.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -119.13 131.1 55.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -101.65 158.46 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.06 -40.17 92.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -138.81 146.14 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -50.69 -46.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.14 -53.04 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.51 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -45.56 -45.92 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -52.13 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.04 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.577 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -47.07 -65.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.696 HD11 HD22 ' A' ' 73' ' ' LEU . 54.2 mt -44.12 -55.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 128' ' ' ILE . 14.3 t-20 -34.98 -40.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 131' ' ' LEU . 70.6 m -109.63 -68.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.577 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.0 mt -35.81 -48.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.564 ' HB2' HG23 ' A' ' 128' ' ' ILE . 37.2 t60 -54.03 108.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t 64.11 47.48 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 92.3 p -99.87 -74.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -100.02 159.99 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 42.1 m -120.71 75.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 136' ' ' THR . 75.7 mt -35.12 152.92 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.588 0.709 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.86 121.01 7.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 33.19 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.07 115.09 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.731 0.3 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 140' ' ' ALA . 63.2 m -32.39 -76.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 37.2 m -100.08 -177.38 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' LEU . 1.3 t -76.19 174.91 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 76' ' ' GLY . 28.8 tp -54.57 108.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.47 100.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.432 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 11.1 t -115.1 108.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -144.9 144.33 31.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -38.93 145.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.77 120.41 20.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -93.7 133.98 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 88.2 m -143.42 141.46 30.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -139.01 148.85 43.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.21 140.21 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -59.58 122.97 15.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 92.8 p -97.66 173.34 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 148.46 88.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.07 105.44 2.07 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.9 p -130.71 142.12 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 46.2 m -101.68 -49.26 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 m -48.09 127.3 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.9 m -133.73 174.63 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.89 171.41 46.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.2 m -118.53 -55.55 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.2 t -70.86 138.16 50.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -118.51 -138.89 5.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.4 p -96.96 122.42 39.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -99.56 122.91 43.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.39 81.14 0.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -51.51 -48.92 62.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -45.23 148.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -86.97 -55.58 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.562 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 19.6 ttpt -40.51 141.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 128' ' ' ILE . 45.8 mt -125.56 146.45 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -99.16 119.39 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.442 HG22 HG13 ' A' ' 146' ' ' VAL . 21.7 t -110.79 138.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.37 -173.97 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG3' HG23 ' A' ' 145' ' ' VAL . 13.0 mmt 59.44 33.86 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.13 157.84 16.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.16 155.66 16.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -48.26 -40.84 26.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -50.68 -54.37 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.762 ' HG3' HD13 ' A' ' 137' ' ' LEU . 32.5 mm-40 -72.9 142.23 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ASP . 42.6 p -139.81 169.8 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 5.0 t70 -36.56 -37.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.99 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 90' ' ' MET . 5.9 m-20 -59.26 -55.92 28.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.37 -54.76 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -52.51 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -61.41 -19.93 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.478 ' CB ' ' O ' ' A' ' 86' ' ' ASP . 21.1 ttp -85.35 -22.14 28.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 131' ' ' LEU . 3.1 m-85 -100.38 -15.74 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 19.2 mt-10 -59.73 -42.2 90.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.6 Cg_exo -47.94 -14.68 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.558 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 60.5 m-85 -118.6 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 128.1 165.8 11.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -83.36 131.24 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 91' ' ' PHE . 81.3 mt -94.77 132.87 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -101.86 -44.18 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -132.54 133.54 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 38.8 t -148.38 116.41 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -134.97 135.7 41.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.487 HG22 ' CB ' ' A' ' 114' ' ' ALA . 97.7 t -98.99 149.52 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.31 119.71 33.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -122.33 172.79 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.86 -149.41 23.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.09 -39.25 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.08 -47.66 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 129.64 42.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.6 m -109.65 139.32 44.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -65.31 97.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -50.61 -25.8 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.67 33.11 1.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 p -165.3 147.98 7.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.487 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -155.35 157.11 36.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CD1' ' HE3' ' A' ' 72' ' ' LYS . 48.3 m-85 -105.03 130.38 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 65.0 t -119.39 135.52 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -119.18 128.3 54.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 25.5 m-85 -98.1 164.7 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.85 -25.2 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.8 p -148.71 155.68 41.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -59.31 -56.63 19.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.18 -55.46 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 34.8 mm-40 -50.53 -57.65 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -40.73 -61.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.35 -51.19 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -40.25 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -40.83 -61.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 73' ' ' LEU . 96.5 mt -47.49 -45.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -47.48 -39.09 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' LEU . 54.5 m -108.28 -66.0 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 127' ' ' ALA . 11.7 mt -35.13 -43.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 33.4 t60 -47.07 121.12 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' HIS . 21.9 t 36.87 53.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -99.95 -69.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -99.68 172.52 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -127.46 81.17 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.762 HD13 ' HG3' ' A' ' 82' ' ' GLN . 88.4 mt -41.16 143.44 0.77 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -46.89 123.39 7.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.92 53.52 14.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.98 111.58 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 111.064 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 18.9 m -32.4 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.5 m -100.03 -175.33 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 m -73.06 176.85 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.07 103.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 77' ' ' MET . 85.0 t -78.58 115.54 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 131' ' ' LEU . 3.5 t -123.99 132.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -156.64 -179.3 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -78.55 149.73 32.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.57 79.34 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -72.07 149.26 45.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 17.8 p -131.26 117.98 19.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -65.05 141.75 58.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.75 159.03 24.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 154' ' ' GLU . 1.5 pm0 -117.92 131.1 56.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.2 t -163.59 154.32 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.74 144.27 48.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -78.84 87.39 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.282 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 159' ' ' SER . 10.5 m -92.1 92.46 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 158' ' ' SER . 18.2 t -35.74 -56.3 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -166.81 155.35 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 t -154.76 130.21 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -108.09 -153.68 17.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.9 p -150.94 140.24 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.3 p -154.12 165.27 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -178.52 70.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t -73.53 146.89 44.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -155.66 133.86 11.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.61 145.98 16.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -96.37 -63.96 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -95.94 139.12 32.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 39.7 mtt85 -98.89 -49.65 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.528 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 27.6 ttmt -35.76 138.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.66 HD22 HD11 ' A' ' 128' ' ' ILE . 17.9 mt -118.32 141.43 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -95.56 113.05 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.6 t -108.18 129.6 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -120.59 -171.02 14.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.6 mmt 52.83 42.21 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 mt -96.6 150.71 20.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.79 149.03 17.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -40.85 -43.12 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.713 0.292 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -48.64 -56.18 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -66.19 122.08 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' ASP . 68.0 p -121.22 166.69 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.92 -28.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.6 tp10 -73.98 -43.42 58.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' THR . 39.1 m-20 -65.33 -60.83 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' PHE . 55.5 t -46.33 -55.71 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 14.9 ttt180 -51.39 -63.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -59.32 -21.75 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttp -88.79 -19.01 26.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 87' ' ' VAL . 3.6 m-85 -103.28 -17.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.4 mt-10 -62.58 -42.21 77.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.96 -15.3 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.474 ' HE2' HD21 ' A' ' 131' ' ' LEU . 63.9 m-85 -119.03 31.1 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.55 170.41 12.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.3 m -91.84 126.89 37.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 117' ' ' LYS . 55.8 mt -91.34 126.16 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.42 -30.92 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -141.12 138.8 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.0 t -148.18 128.11 13.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 m -155.69 141.72 18.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.48 150.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 115' ' ' PHE . 48.0 mt -99.6 119.58 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -112.83 -178.71 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -109.93 -165.22 19.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -47.1 -62.92 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.04 -45.55 92.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.87 16.78 2.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.7 p -82.59 142.72 31.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.823 0.344 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.0 t -54.8 98.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -46.14 -32.37 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.13 16.05 5.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -151.39 150.49 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.46 163.3 37.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.528 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.1 m-85 -112.7 131.53 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.6 t -124.39 118.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 97' ' ' ILE . 20.5 ttmt -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.8 158.99 15.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.71 -31.72 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 46.4 p -140.59 158.74 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -65.78 -43.78 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.41 -43.42 44.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.25 -49.92 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.576 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -49.05 -42.6 39.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -69.57 -39.2 77.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.43 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.528 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -54.12 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.66 HD11 HD22 ' A' ' 73' ' ' LEU . 61.3 mt -44.34 -55.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 128' ' ' ILE . 57.9 t-20 -34.95 -40.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 131' ' ' LEU . 94.3 m -107.57 -69.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.528 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.7 mt -35.54 -45.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.479 ' HB2' HG23 ' A' ' 128' ' ' ILE . 69.3 t60 -50.31 119.85 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.4 p 47.3 47.41 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 t -96.46 -75.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 135' ' ' ARG . 4.8 ptp180 -98.81 168.9 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.1 m -126.77 80.25 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.6 152.27 0.54 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.25 130.51 17.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.02 17.52 53.41 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -125.61 112.08 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.9 m -32.4 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.3 m -95.1 -175.43 3.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.0 m -70.05 -178.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 76' ' ' GLY . 28.9 tp -72.98 113.48 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.1 t -84.1 110.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.41 119.22 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -146.78 -177.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -78.25 156.2 29.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 150' ' ' ASP . . . -75.5 159.0 31.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 149' ' ' ALA . 1.3 m-20 35.45 51.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 62.3 m -64.49 117.58 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -51.2 -44.54 61.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -67.92 112.32 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -104.89 160.0 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 10.9 t -45.16 130.41 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -104.4 142.12 15.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.54 125.62 9.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.7 m -132.51 154.11 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 88.3 p -154.78 134.13 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.8 p -126.35 148.09 49.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -123.52 113.24 18.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.25 163.71 11.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.6 t -115.33 125.34 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 t -156.12 133.54 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.73 -146.22 13.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.5 m -107.15 98.33 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -87.35 156.13 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 121' ' ' HIS . . . -156.29 87.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . 81.9 mt-10 -46.42 -53.66 10.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' GLU . 47.5 m-20 -34.51 135.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -101.39 -43.92 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 8.3 ttpt -47.75 136.79 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.755 HD22 HD11 ' A' ' 128' ' ' ILE . 79.8 mt -124.23 134.54 53.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -90.68 121.35 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 146' ' ' VAL . 39.0 t -112.51 133.24 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.15 -177.66 14.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 mmt 59.82 32.78 21.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 137' ' ' LEU . 83.5 mt -86.98 165.72 15.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.14 148.51 18.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.52 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -53.48 -46.01 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -43.74 -50.7 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.463 ' NE2' ' N ' ' A' ' 82' ' ' GLN . 0.4 OUTLIER -60.09 156.21 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 85' ' ' GLU . 30.2 p -135.16 156.54 48.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.637 ' CG ' HG23 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -41.51 -25.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 83' ' ' THR . 12.9 mt-10 -73.5 -50.93 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -50.21 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG13 ' CE1' ' A' ' 91' ' ' PHE . 99.2 t -38.77 -50.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.475 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 61.2 ttt-85 -50.65 -66.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -59.78 -20.31 55.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttp -85.42 -21.62 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.427 ' C ' ' HD2' ' A' ' 93' ' ' PRO . 3.9 m-85 -104.56 -16.89 14.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.9 mt-10 -58.31 -42.2 93.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -48.02 -14.94 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.433 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.8 m-85 -118.81 30.97 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.96 154.78 8.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.9 m -72.55 135.47 45.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 59.3 mt -98.27 117.32 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.424 ' OD1' ' NE2' ' A' ' 119' ' ' GLN . 12.1 m-20 -76.23 -50.69 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -130.69 149.3 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.69 116.46 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -136.67 135.09 37.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 84' ' ' ASP . 74.7 t -96.14 147.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.524 HD11 ' CE2' ' A' ' 115' ' ' PHE . 90.1 mt -95.22 129.24 42.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -133.43 -176.47 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.22 -173.67 15.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.53 -47.03 13.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.319 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 109' ' ' THR . 23.9 t0 -86.08 40.1 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 107' ' ' ASP . . . 36.4 31.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' ASP . 23.8 m -88.38 139.67 30.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 t -69.02 96.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -48.43 -28.01 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.38 33.18 2.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.38 150.3 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.878 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.21 165.58 30.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.524 ' CE2' HD11 ' A' ' 103' ' ' LEU . 20.9 m-85 -116.16 124.92 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.66 121.4 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -105.73 108.86 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -78.7 165.44 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.424 ' NE2' ' OD1' ' A' ' 98' ' ' ASP . 6.1 tp-100 -73.97 -28.77 61.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.3 p -145.7 155.13 42.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 68' ' ' GLY . 10.6 t60 -57.71 -57.24 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.55 -56.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -54.5 -43.33 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.7 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -67.54 -39.72 85.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -55.22 27.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.505 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -51.46 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.755 HD11 HD22 ' A' ' 73' ' ' LEU . 74.3 mt -46.02 -58.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 41.4 t30 -35.24 -38.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' LEU . 71.9 m -107.2 -70.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.505 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.5 mt -36.86 -41.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.1 t60 -50.41 123.75 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t 41.08 51.48 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.0 p -99.86 -74.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -98.9 -177.27 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.9 m -139.23 105.92 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 78' ' ' LEU . 42.2 mt -71.09 143.5 88.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.12 121.64 5.44 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.737 2.292 . . . . 0.0 112.345 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.34 42.9 11.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.03 108.07 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 36.5 m -31.42 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.4 p -99.54 -175.07 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.9 m -77.9 156.43 30.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 143' ' ' SER . 11.9 tp -35.02 106.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.21 104.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.498 HG13 HG22 ' A' ' 75' ' ' VAL . 2.9 t -117.25 126.23 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -156.84 153.82 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -50.0 142.36 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.57 154.98 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -100.94 112.95 25.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 152' ' ' GLU . 5.2 t -116.78 172.22 7.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 151' ' ' THR . 43.4 mt-10 34.62 42.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -1.19 50.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.99 130.2 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 20.4 t -168.85 123.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -161.71 143.42 8.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.31 36.02 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.3 m -146.56 157.35 43.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 32.6 t -139.8 138.28 35.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -164.67 166.64 19.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 p -115.81 169.47 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -44.5 106.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.4 p -113.46 149.44 34.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.2 t -58.05 -62.99 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.6 -143.49 17.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -108.4 165.12 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -170.85 174.89 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.06 160.75 11.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -84.01 94.36 8.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -162.8 111.83 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' NE ' ' HE3' ' A' ' 117' ' ' LYS . 5.2 ptt180 -76.58 -46.85 24.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.0 ttpt -36.56 142.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.952 HD21 ' HB1' ' A' ' 124' ' ' ALA . 18.9 mt -128.01 149.78 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -105.13 113.63 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 t -103.25 139.62 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.87 -176.15 14.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 56.04 45.14 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 mt -99.4 161.64 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.02 155.8 16.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -59.19 -17.5 28.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.733 0.301 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -75.2 -49.05 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.61 HE21 HD22 ' A' ' 137' ' ' LEU . 0.5 OUTLIER -69.29 138.06 53.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.454 HG22 ' OD2' ' A' ' 86' ' ' ASP . 13.8 t -131.55 172.42 12.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.49 -48.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.04 -60.6 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' A' ' 83' ' ' THR . 22.2 m-20 -51.07 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.8 t -45.49 -59.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.615 ' HG3' HD12 ' A' ' 97' ' ' ILE . 57.8 ttt180 -49.38 -61.46 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -59.71 -22.81 62.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 86' ' ' ASP . 17.4 ttp -86.39 -19.97 28.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.467 ' CE1' HD13 ' A' ' 131' ' ' LEU . 4.1 m-85 -104.33 -11.9 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 20.9 mm-40 -63.75 -42.25 70.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -47.97 -14.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -118.79 31.15 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.71 169.41 12.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.7 m -89.24 133.88 34.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 111.19 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.615 HD12 ' HG3' ' A' ' 88' ' ' ARG . 53.0 mt -98.34 118.28 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -43.02 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -139.85 159.39 42.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.6 t -164.82 120.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -129.31 126.66 39.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -96.32 137.92 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD12 ' SG ' ' A' ' 113' ' ' CYS . 55.6 mt -88.89 133.6 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -136.99 176.15 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.84 -164.1 37.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.444 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.03 -10.28 17.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -104.3 -43.7 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.24 -28.89 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.435 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.4 m -49.1 135.54 16.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t -70.03 117.05 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -56.48 -39.28 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.09 38.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.408 ' SG ' HD12 ' A' ' 103' ' ' LEU . 7.2 p -170.93 146.22 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.32 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -97.52 117.38 31.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.4 t -103.86 141.59 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HE3' ' NE ' ' A' ' 71' ' ' ARG . 24.2 tttp -122.39 115.45 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -88.83 164.88 15.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.17 -37.62 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' HIS . 82.1 p -144.54 136.57 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 1.8 t-80 -35.86 -48.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -43.71 -72.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -37.37 -53.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.952 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -41.74 -43.81 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -56.1 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.89 -46.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.495 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -58.52 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.783 HD11 HD22 ' A' ' 73' ' ' LEU . 75.6 mt -47.96 -58.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' ILE . 24.5 t30 -34.47 -39.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' LEU . 91.1 m -107.54 -72.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.495 HD12 ' HB1' ' A' ' 127' ' ' ALA . 12.0 mt -34.38 -39.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 32.2 t60 -55.46 111.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.6 t 58.5 49.32 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 m -99.96 -74.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.403 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 18.5 ptp180 -99.5 171.31 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.6 m -128.39 72.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.61 HD22 HE21 ' A' ' 82' ' ' GLN . 43.1 mt -34.84 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.06 126.98 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.5 45.3 18.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.56 109.08 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.8 m -32.17 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.8 t -100.2 -174.98 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.2 m -70.82 176.65 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.46 109.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.9 t -82.41 109.98 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 4.1 t -124.87 124.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -156.91 148.26 22.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -42.03 162.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -125.36 107.14 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 151' ' ' THR . 11.5 t0 -88.08 -63.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 150' ' ' ASP . 14.5 t -35.42 148.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.73 -48.69 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -143.59 146.75 33.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.16 -52.81 7.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 9.6 t -129.49 145.84 51.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -162.42 -145.95 4.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.88 -175.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.405 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.4 p -135.45 153.49 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.8 m -162.63 140.61 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -94.95 156.98 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -174.17 156.8 2.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.57 -163.06 27.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.9 m -82.02 151.33 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.0 m -111.23 -46.21 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.49 114.08 3.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.1 p -102.16 90.29 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -124.54 103.28 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.22 113.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.89 94.59 5.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.27 113.69 13.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -68.95 -50.19 51.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -45.94 126.04 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.623 HD22 HD11 ' A' ' 128' ' ' ILE . 87.2 mt -111.48 146.73 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -98.92 110.18 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.01 147.74 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -146.29 -179.25 22.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.419 ' O ' HD12 ' A' ' 137' ' ' LEU . 20.4 mmt 60.67 38.09 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.05 171.54 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.81 169.79 14.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -4.35 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.692 0.282 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -96.88 -54.6 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' OE1' HD13 ' A' ' 137' ' ' LEU . 29.1 mt-30 -45.83 154.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 p -139.86 177.54 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' A' ' 102' ' ' VAL . 0.9 OUTLIER -53.28 -27.37 22.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -69.98 -55.39 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.4 -61.48 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 79.8 t -49.27 -40.55 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.481 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 16.0 ttm180 -65.26 -61.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -61.0 -20.99 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.8 ttp -87.48 -19.9 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.641 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -101.73 -12.11 18.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 22.8 mt-10 -66.11 -42.14 48.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.8 Cg_exo -47.95 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.517 ' HE2' HD21 ' A' ' 131' ' ' LEU . 61.2 m-85 -118.78 31.18 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.27 177.0 14.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -91.63 137.89 32.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 91' ' ' PHE . 67.2 mt -98.47 126.86 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.57 -32.13 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -152.51 160.44 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.4 t -169.99 123.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -140.83 139.1 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.564 HG23 ' OD2' ' A' ' 84' ' ' ASP . 65.4 t -95.82 144.34 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.741 HD11 ' CE2' ' A' ' 115' ' ' PHE . 35.9 mt -98.45 121.48 40.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -124.24 168.7 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -92.03 178.51 40.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.8 -43.34 19.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.735 2.29 . . . . 0.0 112.306 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.52 -41.77 88.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 119.92 4.28 11.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.2 m -81.02 138.19 36.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.2 t -54.81 120.47 6.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -72.62 -27.84 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.85 28.0 3.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -157.96 148.64 20.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.06 158.21 43.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.741 ' CE2' HD11 ' A' ' 103' ' ' LEU . 38.3 m-85 -105.85 120.4 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 91' ' ' PHE . 74.1 t -114.27 115.11 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -102.96 113.41 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -79.89 174.41 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -73.81 -38.79 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.4 p -142.23 148.64 38.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 2.4 t-80 -41.71 -64.04 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -34.48 -59.47 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.33 -47.3 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.59 74.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -64.99 -39.19 93.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.19 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -39.92 -58.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.623 HD11 HD22 ' A' ' 73' ' ' LEU . 68.9 mt -45.1 -61.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' ILE . 3.0 m120 -35.43 -42.53 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LEU . 18.5 m -100.15 -73.83 0.62 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.517 HD21 ' HE2' ' A' ' 94' ' ' PHE . 11.6 mt -34.4 -66.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 131' ' ' LEU . 56.8 t60 -35.99 110.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.8 t 59.44 47.3 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 131' ' ' LEU . 5.4 t -98.93 -75.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -99.96 -175.83 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.8 m -127.9 74.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.77 HD11 HD13 ' A' ' 144' ' ' LEU . 70.6 mt -34.91 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.551 0.691 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 120.69 7.1 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.97 24.71 29.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -128.63 108.07 10.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 140' ' ' ALA . 21.0 m -31.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.0 m -91.04 -174.99 4.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.9 m -71.34 174.45 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 137' ' ' LEU . 51.0 tp -61.2 137.82 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 18.3 t -106.03 118.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.1 t -132.63 107.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -140.95 151.29 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -49.05 150.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -97.06 179.9 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -112.01 178.95 4.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 88.2 m -87.24 147.67 25.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -74.71 -51.17 15.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -153.61 162.82 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.92 109.08 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 94.4 p -108.37 128.42 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -145.7 -163.89 10.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.07 101.33 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.294 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 m -75.69 146.63 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 74.4 m 49.03 42.18 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -135.12 153.77 51.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.6 p -108.93 150.14 28.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.55 75.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.1 p -47.39 172.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.888 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -151.1 172.39 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.81 103.38 2.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 p -152.47 165.48 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -118.25 -53.86 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.17 46.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -52.23 118.64 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -91.12 165.86 13.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -93.21 -37.61 11.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 15.5 ttmt -49.89 149.43 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' ' 128' ' ' ILE . 86.3 mt -132.19 134.16 45.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -89.79 121.03 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 141.36 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.25 -170.83 12.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.38 38.18 24.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 137' ' ' LEU . 36.5 mt -90.01 163.68 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -116.09 163.05 12.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -63.79 -43.76 95.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -50.31 -54.64 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' OE1' ' CG ' ' A' ' 86' ' ' ASP . 43.6 mm-40 -62.23 151.81 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -137.14 -177.14 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -56.69 -30.74 63.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.65 -44.88 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.438 ' CG ' ' OE1' ' A' ' 82' ' ' GLN . 47.5 m-20 -62.27 -73.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.523 HG13 ' CE1' ' A' ' 91' ' ' PHE . 96.1 t -41.84 -34.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -66.08 -62.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -66.26 -16.66 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.9 ttp -85.71 -23.16 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.523 ' CE1' HG13 ' A' ' 87' ' ' VAL . 3.8 m-85 -99.77 -15.17 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.2 mt-10 -60.5 -42.19 87.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 63.7 Cg_exo -47.98 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 63.8 m-85 -118.83 31.1 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 126.52 154.94 8.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -76.87 116.86 17.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.299 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 117' ' ' LYS . 71.2 mt -73.3 127.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.25 -27.06 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -152.85 149.78 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 43.6 t -158.69 119.21 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.7 m -143.03 129.94 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.7 t -87.56 150.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 115' ' ' PHE . 39.6 mt -101.35 122.96 44.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -132.01 169.03 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -74.66 -162.17 9.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.24 -22.23 11.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.355 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.49 -42.56 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 140.64 -18.14 2.82 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.4 m -55.64 117.53 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 111.16 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 t -54.66 124.3 15.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -72.22 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.53 42.55 0.8 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 p -169.05 156.13 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.55 154.69 32.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.2 m-85 -105.41 113.13 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.53 125.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 97' ' ' ILE . 12.3 tttp -107.87 137.22 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.587 ' HB2' ' HB2' ' A' ' 124' ' ' ALA . 23.4 m-85 -106.95 160.33 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -61.69 -28.71 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.9 p -150.33 170.81 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' ALA . 73.3 t60 -68.59 -62.36 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.2 -46.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.28 -50.08 67.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.587 ' HB2' ' HB2' ' A' ' 118' ' ' PHE . . . -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.401 HE22 HD21 ' A' ' 129' ' ' ASN . 0.3 OUTLIER -65.62 -40.63 92.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -48.45 -50.24 32.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -53.67 -55.48 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.679 HD11 HD22 ' A' ' 73' ' ' LEU . 82.3 mt -47.43 -58.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' ILE . 26.1 m120 -35.46 -40.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 77.1 m -105.35 -71.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 127' ' ' ALA . 9.9 mt -34.78 -47.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.438 ' ND1' ' O ' ' A' ' 146' ' ' VAL . 15.7 t60 -49.61 118.23 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 t 50.82 47.17 25.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 t -98.51 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 176.03 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -133.38 81.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 78' ' ' LEU . 37.8 mt -41.03 142.21 0.88 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.74 120.24 4.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.51 48.71 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.83 106.89 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 140' ' ' ALA . 41.3 t -31.23 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.7 m -98.75 -174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.8 m -74.77 172.44 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.65 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.05 102.5 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.438 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 37.8 t -115.85 117.45 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 148' ' ' PHE . 6.1 pttm -152.93 138.86 18.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.57 ' HA ' HD23 ' A' ' 73' ' ' LEU . 55.3 m-85 -37.34 152.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -99.44 166.19 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.63 115.78 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 38.8 m -127.5 141.73 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -116.43 113.83 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -110.42 137.6 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.488 ' CD ' ' N ' ' A' ' 154' ' ' GLU . 2.4 pm0 -141.2 148.89 40.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.9 t -116.05 164.04 15.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -120.66 96.77 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.47 134.42 18.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 53.4 m -154.17 151.93 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.3 m -161.74 173.52 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -96.71 83.69 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 p -94.63 165.51 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.99 80.78 0.91 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.1 t -87.34 159.98 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.91 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -71.41 147.48 47.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -123.08 -133.96 4.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 m -88.23 167.26 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.812 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -71.16 114.18 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.16 -86.88 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 57.75 36.07 26.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -112.98 93.32 4.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -52.65 -42.08 64.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -56.69 147.78 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 128' ' ' ILE . 29.0 mt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -94.17 117.16 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 t -104.76 138.93 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.73 176.35 19.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 mmt 62.08 44.04 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 72.6 mt -100.28 162.94 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -124.88 157.59 19.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.431 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -48.54 -35.94 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -56.57 -45.71 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 8.4 mp0 -75.55 132.06 40.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.453 HG23 ' H ' ' A' ' 85' ' ' GLU . 14.2 t -134.51 169.62 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.5 p-10 -36.77 -39.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' H ' HG23 ' A' ' 83' ' ' THR . 6.0 mp0 -63.6 -54.62 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.5 -65.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.85 -50.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.483 ' HA ' HD13 ' A' ' 97' ' ' ILE . 40.3 ttt180 -53.37 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.78 -19.86 60.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 30.1 ttp -84.12 -23.19 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.639 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.1 m-85 -101.77 -12.61 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.8 mt-10 -60.71 -42.22 86.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.76 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.97 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.556 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 65.7 m-85 -118.63 30.93 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 124.25 161.39 11.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.4 m -76.1 132.56 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 91' ' ' PHE . 63.8 mt -96.52 125.48 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.28 -39.71 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 44.3 tp10 -128.88 152.91 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 44.1 t -170.62 115.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -133.44 135.73 44.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.411 HG13 ' HB2' ' A' ' 114' ' ' ALA . 22.2 t -101.89 126.5 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 115' ' ' PHE . 42.6 mt -82.48 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -141.35 166.15 25.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.75 -148.39 7.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.11 155.76 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 108' ' ' GLY . 1.0 OUTLIER 46.19 40.96 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' ASP . . . 36.1 41.07 0.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.6 m -92.9 130.19 38.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -65.39 111.8 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -59.36 -21.43 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.41 39.57 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -163.83 149.65 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.345 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -159.14 154.45 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 103' ' ' LEU . 52.8 m-85 -102.54 133.27 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 91' ' ' PHE . 97.0 t -124.56 124.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -106.65 145.43 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -115.82 149.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -49.79 -31.36 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.6 p -152.8 142.18 21.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' ALA . 10.0 t60 -42.4 -51.01 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -38.03 -62.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 124' ' ' ALA . 53.0 mm-40 -48.57 -59.02 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.531 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -36.8 -54.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -49.05 -58.07 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.57 -63.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -41.62 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 73' ' ' LEU . 96.7 mt -40.6 -64.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 9.5 t-20 -34.47 -38.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 m -102.49 -71.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.638 HD12 ' HB1' ' A' ' 127' ' ' ALA . 16.4 mt -39.04 -46.34 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.0 t60 -45.92 117.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t 45.17 53.05 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 88.7 p -96.65 -73.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -99.51 171.94 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.3 m -125.35 87.31 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.0 mt -48.55 153.4 1.38 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.77 125.29 10.93 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 18.41 50.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.52 112.12 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.2 m -32.72 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.4 p -93.37 -176.91 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 m -76.77 174.23 10.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 24.1 tp -55.02 121.22 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.24 102.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.6 t -112.59 122.57 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -151.99 161.82 42.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -60.37 142.47 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -88.36 139.14 30.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -157.65 142.02 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 151' ' ' THR . 11.0 t -103.33 119.64 39.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.88 174.72 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -105.0 171.94 7.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -106.9 140.74 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 51.9 p -132.84 115.2 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -133.65 90.71 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.13 13.14 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.6 t -52.07 -50.41 61.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -119.82 -56.0 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -91.84 84.62 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.1 p -62.96 118.64 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.14 101.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.8 p -94.32 97.76 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.903 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.6 m -59.15 122.96 15.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.88 124.78 5.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 t -113.61 -51.54 2.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -127.96 115.01 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.63 89.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -119.08 59.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -149.95 165.28 33.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 -101.25 -29.17 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -61.64 142.75 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.906 HD22 HD11 ' A' ' 128' ' ' ILE . 26.7 mt -124.92 138.02 54.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -88.87 123.29 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 146' ' ' VAL . 4.6 t -116.19 145.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -143.18 -178.1 18.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.5 mmt 57.75 35.65 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.9 mt -88.63 152.78 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.68 150.28 18.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -40.64 -29.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.6 -49.01 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.641 ' HG2' HD13 ' A' ' 137' ' ' LEU . 19.4 mp0 -73.6 110.85 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -121.27 176.05 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.01 -58.0 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -55.86 -65.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.5 t -39.79 -54.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 25.3 ttt180 -51.83 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -62.59 -20.23 64.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.8 ttp -86.83 -23.06 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.621 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.3 m-85 -99.47 -17.0 18.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 5.7 mm-40 -59.99 -42.15 88.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -48.0 -14.71 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 54.1 m-85 -118.7 31.1 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.05 -179.37 16.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 m -95.47 137.65 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 91' ' ' PHE . 64.8 mt -99.36 126.39 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.71 -36.74 16.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -137.65 154.72 49.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.7 t -159.8 137.3 9.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.1 m -159.7 138.58 10.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 114' ' ' ALA . 41.6 t -109.21 143.25 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 115' ' ' PHE . 45.0 mt -92.19 123.29 35.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -128.88 179.75 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -92.26 -149.79 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -76.93 -48.85 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.81 -45.89 80.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.66 32.25 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.6 m -98.83 132.06 44.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.7 t -60.93 96.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -44.46 -39.87 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.45 0.38 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.0 p -169.03 147.69 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.52 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -152.75 156.79 39.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 103' ' ' LEU . 60.2 m-85 -109.36 128.64 55.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.68 136.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 97' ' ' ILE . 25.6 tttp -118.06 117.06 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 14.8 m-85 -89.34 165.49 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -69.02 -34.93 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.9 p -141.64 140.73 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -44.52 -38.75 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.11 -59.58 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -50.23 -40.99 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.657 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -57.9 -40.09 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -68.98 -45.51 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.0 51.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 94' ' ' PHE . . . -87.33 -50.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.906 HD11 HD22 ' A' ' 73' ' ' LEU . 41.8 mt -61.82 -20.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -25.09 38.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 134' ' ' SER . 98.4 m -110.94 -10.88 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 132' ' ' HIS . 14.0 mt -100.52 -59.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 133' ' ' SER . 63.3 t60 -36.27 126.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' HIS . 5.6 t 33.53 40.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 130' ' ' THR . 46.0 m -100.19 -72.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.407 ' CB ' HH11 ' A' ' 135' ' ' ARG . 0.4 OUTLIER -99.78 161.95 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.0 m -123.02 96.08 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.641 HD13 ' HG2' ' A' ' 82' ' ' GLN . 20.6 mt -48.41 141.56 9.05 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.88 113.72 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 82.32 46.54 6.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.83 108.94 8.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.9 m -32.22 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 m -99.62 165.79 11.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.4 m -60.05 161.81 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.595 HD13 HD11 ' A' ' 137' ' ' LEU . 21.2 tp -55.26 116.63 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.5 t -86.01 116.96 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.572 HG22 HG13 ' A' ' 75' ' ' VAL . 17.3 t -134.63 131.57 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -166.64 156.66 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -53.12 123.34 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -49.37 124.19 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -88.24 38.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 6.8 t -62.33 -29.98 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -56.01 129.71 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.4 155.46 37.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 58.64 42.02 21.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 48.0 t -135.14 111.23 9.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -138.1 89.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.08 -38.05 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.6 p -59.38 158.72 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.7 p -103.28 -56.49 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -154.5 149.36 26.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.4 t -72.18 122.86 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -50.22 155.85 2.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 p -96.07 146.14 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.5 m -160.08 162.14 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.78 126.76 4.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -48.95 -60.33 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 70.57 42.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.52 45.58 1.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 38.82 45.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -128.58 156.1 43.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.809 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 72' ' ' LYS . 29.4 mtm-85 -128.74 -49.27 1.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.9 ttpm? -36.73 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.863 HD22 HD11 ' A' ' 128' ' ' ILE . 47.1 mt -136.32 148.0 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -99.68 122.26 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -113.5 121.61 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.88 -176.13 16.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.797 ' HG3' HG23 ' A' ' 145' ' ' VAL . 22.3 mmt 61.32 32.95 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.8 mt -89.01 161.9 16.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.89 156.62 16.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -51.99 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.701 0.286 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -54.01 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.91 147.43 52.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -138.84 177.6 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' HB3' HG23 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -47.14 -47.73 23.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.29 -51.09 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -59.49 -68.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.6 t -41.17 -49.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.84 -58.48 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -63.37 -20.54 65.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttp -86.94 -21.26 26.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -99.27 -15.07 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.6 mt-10 -62.53 -42.14 77.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -14.64 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.543 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 71.5 m-85 -118.61 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.42 175.81 14.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 m -92.18 134.99 34.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.108 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 91' ' ' PHE . 48.1 mt -96.96 123.36 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -77.85 -45.42 24.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 10.9 tp10 -142.46 155.45 45.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.9 t -160.84 131.1 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.6 m -147.86 135.84 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.179 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 84' ' ' ASP . 64.8 t -98.91 137.44 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 115' ' ' PHE . 41.2 mt -86.81 146.93 26.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 108' ' ' GLY . 60.0 mtm-85 -140.98 168.89 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 111' ' ' LYS . . . -86.26 -149.44 13.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.31 -47.37 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.39 -41.18 98.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.416 ' C ' ' HD2' ' A' ' 104' ' ' ARG . . . 120.1 36.79 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.0 t -111.53 151.32 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.6 t -60.38 96.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 105' ' ' GLY . 4.0 mmmm -48.2 -29.38 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.25 28.54 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.489 ' SG ' HD12 ' A' ' 103' ' ' LEU . 22.9 p -158.75 148.38 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.28 157.72 43.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' A' ' 103' ' ' LEU . 23.0 m-85 -113.04 128.89 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.0 t -119.93 129.96 74.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -114.98 105.83 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -75.86 151.75 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -52.92 -35.8 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.0 p -144.52 166.61 24.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 6.4 t-80 -63.73 -53.47 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.43 -67.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -48.7 -54.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -41.67 -39.14 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -72.97 -38.18 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.68 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.621 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.69 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.863 HD11 HD22 ' A' ' 73' ' ' LEU . 82.6 mt -42.02 -58.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.8 -39.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 131' ' ' LEU . 76.3 m -101.81 -72.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.621 HD12 ' HB1' ' A' ' 127' ' ' ALA . 17.4 mt -35.44 -52.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.1 t60 -40.72 118.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 25.0 t 51.76 47.69 24.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -99.1 -73.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -99.69 172.93 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 m -128.21 76.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 50.4 mt -40.47 152.34 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.54 129.51 15.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.65 16.86 56.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -123.36 111.34 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.4 t -32.44 -75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 65.8 m -95.45 178.04 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.5 p -62.29 -177.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.9 tp -70.83 131.01 43.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.797 HG23 ' HG3' ' A' ' 77' ' ' MET . 99.3 t -102.64 99.0 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.71 124.5 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -153.84 -179.59 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.486 ' HA ' HD23 ' A' ' 73' ' ' LEU . 61.0 m-85 -72.8 154.21 40.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -96.16 121.14 37.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.11 130.21 36.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 69.4 p -88.88 167.37 13.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -157.43 122.31 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -161.52 131.22 4.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -71.28 140.67 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.8 m -92.37 170.02 10.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -157.86 95.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.96 -42.74 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 94.3 p -141.53 134.99 29.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 58.0 p -124.91 147.32 48.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 49.33 42.31 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.834 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -115.25 125.36 53.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.33 146.8 18.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -138.07 124.79 21.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 m -125.97 173.38 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.17 81.92 1.39 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -92.01 119.93 32.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.2 ttm-85 -77.14 111.02 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' O ' ' CD1' ' A' ' 148' ' ' PHE . . . 159.22 61.41 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -81.49 99.19 8.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -172.56 128.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -44.14 -51.62 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HE2' ' CG ' ' A' ' 115' ' ' PHE . 35.2 tttt -51.5 121.43 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.673 HD21 ' HB1' ' A' ' 124' ' ' ALA . 44.2 mt -110.79 139.11 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -94.06 113.29 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -104.17 138.5 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -169.14 11.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.1 mmt 53.44 37.61 26.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.08 158.72 15.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.49 155.32 16.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -56.03 -45.61 79.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -47.21 -63.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.804 HE21 HD22 ' A' ' 137' ' ' LEU . 30.6 mm-40 -45.48 151.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.7 p -132.76 176.88 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -35.67 60.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -64.71 -43.08 94.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.17 -74.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -41.03 -48.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 97' ' ' ILE . 22.4 ttp180 -54.53 -68.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.27 -21.64 35.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttp -83.73 -23.06 31.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -102.34 -8.71 20.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 46.6 mt-10 -64.74 -42.19 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.91 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.439 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 64.5 m-85 -118.57 31.11 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 125.75 166.16 12.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 m -82.47 135.6 35.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.097 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 88' ' ' ARG . 73.6 mt -96.16 119.9 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.45 -43.62 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -137.88 140.43 40.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 t -151.46 124.41 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.2 m -146.63 136.97 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 114' ' ' ALA . 3.3 t -95.49 125.27 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.619 HD11 ' CE2' ' A' ' 115' ' ' PHE . 85.6 mt -65.58 112.52 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -119.55 178.69 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.73 -170.51 17.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.32 -64.55 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.286 . . . . 0.0 112.356 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -63.64 -38.74 92.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 119.96 36.99 0.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.3 p -88.67 124.65 34.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.1 m -60.1 93.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -49.8 -20.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.72 27.27 8.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.36 138.32 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.642 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -140.61 144.59 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CE2' HD11 ' A' ' 103' ' ' LEU . 40.1 m-85 -96.56 125.69 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 56.7 t -116.43 119.84 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -106.2 101.93 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -70.43 170.07 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.84 -37.14 86.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 69.5 p -146.33 173.71 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 2.4 t-80 -61.15 -62.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.61 -63.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -44.85 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.673 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -55.83 -37.97 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.71 -49.59 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.2 -54.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.406 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.25 -68.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.3 mt -42.34 -56.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.0 t-20 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LEU . 28.7 m -104.86 -71.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' THR . 11.4 mt -34.4 -57.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 40.4 t60 -35.18 107.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 t 59.01 50.5 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 131' ' ' LEU . 2.1 t -99.46 -74.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -99.51 177.28 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.0 m -133.96 77.48 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.804 HD22 HE21 ' A' ' 82' ' ' GLN . 60.0 mt -36.92 141.85 0.38 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.52 118.63 3.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.02 53.22 4.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.05 110.58 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.0 m -32.4 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.9 m -100.18 -175.1 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -71.56 171.95 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.83 108.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.6 122.74 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 t -136.81 114.36 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -144.74 -176.91 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 70.0 m-85 -78.23 143.05 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.32 140.01 38.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.08 95.24 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.2 t -116.61 155.7 28.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -132.62 161.78 33.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -121.39 139.46 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -40.62 101.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 68.3 m -104.86 159.59 15.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 127.14 -95.76 0.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.31 122.75 6.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.642 2.228 . . . . 0.0 112.347 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.4 m -136.54 112.39 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -69.36 148.3 49.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.4 p -98.33 108.07 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.1 p -126.27 106.12 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 155.95 146.93 4.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -74.8 149.54 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.3 p -167.64 128.11 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.46 123.37 4.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.9 p -158.07 170.43 22.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -59.1 -53.44 58.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.23 107.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -109.63 122.41 47.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 41.14 50.69 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -53.05 -58.99 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -40.1 143.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 128' ' ' ILE . 75.0 mt -127.64 138.43 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -90.19 108.78 19.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.16 131.32 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.25 -178.03 15.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.7 mmt 60.26 41.89 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 137' ' ' LEU . 31.4 mt -98.71 163.43 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.68 157.53 20.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.73 -45.23 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -43.59 -52.15 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -76.04 144.82 40.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -133.49 172.22 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -43.35 -39.51 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.18 -48.34 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -62.95 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.19 -58.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 35.6 ttt180 -48.26 -62.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -59.35 -22.22 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.0 ttp -85.9 -20.6 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.539 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.6 m-85 -101.66 -12.82 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 53.8 mm-40 -63.48 -42.18 71.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.96 -14.53 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.45 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 67.4 m-85 -118.67 31.09 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.23 176.66 14.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.6 m -91.53 140.76 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 91' ' ' PHE . 95.0 mt -100.05 134.09 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -96.38 -43.36 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -137.32 147.29 45.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 t -160.8 138.64 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.2 m -163.08 142.05 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.28 146.99 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 115' ' ' PHE . 25.4 mt -100.87 132.29 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -127.37 171.55 11.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -97.76 -175.99 33.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.81 -63.92 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.74 -51.68 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 129.1 30.66 0.67 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.5 m -101.76 144.93 29.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' LYS . 29.5 t -63.87 93.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' SER . 9.3 mmtp -37.47 -40.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.4 28.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -161.29 153.52 19.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.05 162.48 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 103' ' ' LEU . 18.1 m-85 -108.13 122.86 47.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.6 t -119.21 128.16 75.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -116.27 126.01 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -92.11 166.91 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -72.41 -39.76 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.7 p -135.39 139.36 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 122' ' ' ALA . 19.3 t60 -40.86 -57.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.77 -66.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -46.54 -53.06 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.3 -50.05 12.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -62.23 -47.37 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.95 -50.92 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -53.83 -59.25 4.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 73' ' ' LEU . 63.4 mt -51.86 -52.58 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.8 t30 -35.04 -41.23 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 131' ' ' LEU . 64.1 m -105.86 -67.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.641 HD12 ' HB1' ' A' ' 127' ' ' ALA . 25.7 mt -36.95 -50.84 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.54 ' HB2' HG23 ' A' ' 128' ' ' ILE . 46.5 t60 -41.42 113.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.4 m 52.06 46.08 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t -95.43 -74.77 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -99.95 176.03 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 137' ' ' LEU . 22.6 m -131.55 82.08 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.688 ' CD1' HD23 ' A' ' 78' ' ' LEU . 51.1 mt -36.33 142.71 0.32 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.3 117.2 2.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.0 52.29 5.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.59 109.25 7.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.2 t -31.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 t -100.05 172.76 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.1 m -62.72 -179.81 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.65 97.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.93 97.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.696 HG12 HG12 ' A' ' 128' ' ' ILE . 22.1 t -108.25 113.41 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -149.7 154.12 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -58.42 131.65 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -49.13 163.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -107.61 -62.5 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 57.2 p -53.94 164.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -139.21 155.67 47.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -118.57 83.4 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -79.48 130.56 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 81.0 p -105.66 121.52 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 98.89 143.72 15.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.22 107.77 2.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.8 t -124.71 -50.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 77.5 p -63.82 138.26 58.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -139.07 154.93 48.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 p -83.1 174.66 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.06 156.95 9.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.4 m -153.76 153.84 32.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.4 t -106.04 89.66 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.45 112.89 3.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -111.92 162.12 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.802 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -89.97 143.72 26.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.8 74.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -48.57 -57.24 6.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -54.76 145.3 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.6 mtt180 -127.43 -53.04 1.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' ARG . 11.5 ttpt -34.9 137.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.562 HD21 ' HB1' ' A' ' 124' ' ' ALA . 67.9 mt -121.21 143.1 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -101.5 112.09 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.23 149.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.91 178.43 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 61.31 45.89 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 137' ' ' LEU . 46.1 mt -99.77 167.81 10.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.85 156.88 16.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' GLN . 3.9 tppp? -55.34 -53.26 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.2 mp0 -35.78 -65.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.41 HE21 HD22 ' A' ' 137' ' ' LEU . 40.0 mm-40 -50.69 154.3 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.422 HG23 ' HB3' ' A' ' 85' ' ' GLU . 7.1 t -137.19 168.53 19.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' CG ' HG23 ' A' ' 102' ' ' VAL . 2.4 m-20 -47.27 -26.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HB3' HG23 ' A' ' 83' ' ' THR . 20.0 tt0 -72.49 -44.37 62.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.18 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.38 -54.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.17 -66.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -59.48 -20.54 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.7 ttp -83.06 -23.24 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.462 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.1 m-85 -105.24 -4.69 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.5 mt-10 -67.64 -42.23 34.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.94 -14.52 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -118.61 31.26 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.2 171.48 13.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.7 m -91.13 136.7 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 117' ' ' LYS . 57.0 mt -98.83 136.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -95.27 -31.68 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -150.01 164.26 35.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.6 t -171.92 136.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.1 m -153.8 130.34 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.47 HG23 ' CG ' ' A' ' 84' ' ' ASP . 59.8 t -89.08 121.86 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 115' ' ' PHE . 80.1 mt -67.67 137.82 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -142.17 170.51 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -83.36 -150.32 9.78 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.67 -47.11 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -65.12 -50.63 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 133.74 37.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.6 t -104.46 135.08 46.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 p -67.32 99.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -53.01 -24.59 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.66 24.29 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -145.72 156.8 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 102' ' ' VAL . . . -160.09 154.12 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 103' ' ' LEU . 42.5 m-85 -101.87 126.8 48.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -116.2 120.65 65.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 97' ' ' ILE . 18.9 ttpp -102.48 112.03 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -85.23 163.94 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.32 -36.42 81.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.7 p -147.78 163.12 37.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 122' ' ' ALA . 24.6 t60 -60.05 -56.77 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.13 -51.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 13.0 mm-40 -62.13 -54.71 37.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.562 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -43.15 -49.58 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.62 84.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -51.06 -55.32 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.467 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -52.75 -68.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.577 HD12 ' CE1' ' A' ' 148' ' ' PHE . 20.0 mt -40.48 -55.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -38.87 -39.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 131' ' ' LEU . 53.8 m -108.13 -69.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.467 HD12 ' HB1' ' A' ' 127' ' ' ALA . 9.6 mt -36.14 -51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 26.9 t60 -39.79 116.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.8 t 45.67 52.03 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 t -99.58 -74.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -99.97 174.66 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.7 m -134.21 87.62 2.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 78' ' ' LEU . 32.9 mt -46.25 142.88 3.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.35 117.23 2.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.39 54.64 3.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.73 110.0 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.5 t -32.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -99.45 -175.35 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.1 m -74.28 179.98 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.77 93.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -70.23 118.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.525 HG12 HG12 ' A' ' 128' ' ' ILE . 9.6 t -130.04 121.73 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -145.47 -179.31 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.577 ' CE1' HD12 ' A' ' 128' ' ' ILE . 67.9 m-85 -84.15 152.41 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -101.98 88.61 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -132.4 81.5 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.2 t -94.91 144.93 25.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.67 131.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -100.25 106.68 18.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.17 141.92 57.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 27.6 t -89.04 -58.39 2.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 86.07 95.69 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -45.01 149.23 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.9 t -70.22 85.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.5 t -167.45 160.72 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.367 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -39.42 144.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 128' ' ' ILE . 28.2 mt -134.08 154.42 51.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -109.23 111.48 23.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 91' ' ' PHE . 60.5 t -99.77 144.26 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.35 -171.8 12.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.0 mmt 52.89 42.58 32.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.4 mt -94.63 148.88 21.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.81 155.35 16.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -51.92 -30.13 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -66.49 -47.88 71.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.613 ' HG3' HD13 ' A' ' 137' ' ' LEU . 45.2 mm-40 -72.18 132.13 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 38.6 p -136.75 175.46 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' THR . 0.5 OUTLIER -37.47 -41.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.28 -58.53 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' MET . 21.3 m-20 -58.07 -62.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.406 HG13 ' CE1' ' A' ' 91' ' ' PHE . 84.1 t -48.38 -48.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -56.6 -59.77 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -66.58 -18.03 65.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' ASP . 10.5 ttp -88.91 -24.0 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.439 ' CE2' HG21 ' A' ' 75' ' ' VAL . 4.7 m-85 -100.36 -21.95 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 21.2 mm-40 -58.37 -42.21 93.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.1 Cg_exo -47.94 -15.27 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.425 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.1 m-85 -118.99 31.14 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.25 163.18 10.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.2 m -88.14 115.02 25.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' A' ' 92' ' ' GLU . 78.1 mt -80.54 140.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.23 -43.95 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -130.54 123.1 28.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.6 t -134.28 117.97 17.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -127.56 131.5 50.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.44 140.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 115' ' ' PHE . 89.0 mt -90.82 108.52 19.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.965 0.412 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -46.55 -34.32 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.23 33.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.405 ' SG ' HD12 ' A' ' 103' ' ' LEU . 1.8 p -164.49 148.3 9.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.12 143.57 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.515 ' CE2' HD11 ' A' ' 103' ' ' LEU . 75.3 m-85 -97.76 137.71 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 135.69 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -120.7 99.45 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.54 169.48 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -66.3 -32.77 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 65.0 p -149.95 161.79 41.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 124' ' ' ALA . 8.5 t60 -57.62 -60.3 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.01 -43.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.27 -39.2 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 121' ' ' HIS . . . -56.14 -55.17 36.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -55.76 -44.01 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.13 -59.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.85 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.841 HD11 HD22 ' A' ' 73' ' ' LEU . 78.2 mt -42.38 -57.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 128' ' ' ILE . 18.1 t-20 -34.46 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LEU . 75.2 m -108.37 -71.88 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.635 HD12 ' HB1' ' A' ' 127' ' ' ALA . 16.2 mt -34.35 -38.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.2 t60 -52.07 115.18 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.2 t 47.47 44.39 16.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 t -91.71 -75.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -99.55 171.25 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.1 m -122.27 83.61 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.613 HD13 ' HG3' ' A' ' 82' ' ' GLN . 33.8 mt -39.26 148.63 0.27 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.8 133.86 13.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.97 59.37 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -135.2 112.08 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 7.2 m -32.01 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -99.57 -176.93 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.5 m -78.26 174.28 11.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.1 tp -54.52 101.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 83.4 t -78.81 102.48 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 128' ' ' ILE . 6.6 t -115.67 121.88 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -154.65 143.34 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -39.49 149.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -56.11 143.53 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.646 HD22 HD11 ' A' ' 128' ' ' ILE . 86.9 mt -121.92 155.71 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -107.7 112.89 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG21 ' CE2' ' A' ' 91' ' ' PHE . 41.8 t -104.41 140.34 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.04 -171.53 12.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.7 mmt 56.7 33.84 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.0 mt -88.78 161.46 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.06 158.27 16.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -51.72 -48.56 63.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -48.26 -52.12 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.26 129.57 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 11.8 t -126.06 170.88 11.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' THR . 3.2 m-20 -36.48 -47.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -53.76 -53.85 46.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.89 -70.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 85.8 t -41.9 -58.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 22.5 ttm180 -48.72 -63.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -57.92 -22.72 50.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.467 ' SD ' ' CZ ' ' A' ' 135' ' ' ARG . 19.3 ttp -87.98 -19.67 26.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 75' ' ' VAL . 3.7 m-85 -103.39 -14.32 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.637 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 13.9 mt-10 -64.14 -42.17 66.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -47.99 -15.13 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 131.02 172.67 13.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' GLN . 13.2 m -95.85 125.56 40.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 117' ' ' LYS . 77.7 mt -86.57 135.79 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 3.4 t70 -95.64 -41.77 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HG2' ' C ' ' A' ' 98' ' ' ASP . 20.6 mm-40 -145.4 129.62 17.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 28.4 t -133.56 120.32 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.5 m -134.85 134.41 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 114' ' ' ALA . 45.4 t -100.36 139.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 115' ' ' PHE . 88.2 mt -84.98 139.85 31.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -41.9 -29.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.43 37.05 1.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 5.1 p -167.66 154.0 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -158.09 157.73 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 103' ' ' LEU . 74.7 m-85 -105.83 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.12 122.74 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 97' ' ' ILE . 2.8 ttpp -102.57 129.77 49.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.71 162.87 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.4 tt0 -62.98 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.8 p -139.9 139.95 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 122' ' ' ALA . 7.8 t60 -40.73 -58.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.54 -49.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.46 -53.01 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -44.54 -55.83 4.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.063 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -45.33 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.55 -42.66 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.472 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -62.89 -58.91 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.646 HD11 HD22 ' A' ' 73' ' ' LEU . 68.4 mt -49.64 -57.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 2.6 t30 -37.05 -38.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.2 m -101.88 -71.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' ' 146' ' ' VAL . 20.0 mt -38.32 -53.0 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 34.6 t60 -34.64 122.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.9 m 38.45 51.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t -95.38 -74.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.467 ' CZ ' ' SD ' ' A' ' 90' ' ' MET . 15.1 ptp180 -99.26 178.37 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.3 m -132.74 77.2 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 136' ' ' THR . 26.8 mt -36.22 143.68 0.28 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.707 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.75 124.36 8.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.18 54.59 12.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.94 111.66 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.7 m -32.38 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.1 m -100.03 -175.06 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.6 m -80.29 160.46 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.7 tp -41.46 112.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.63 97.97 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 131' ' ' LEU . 12.1 t -103.09 127.45 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.3 179.26 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 128' ' ' ILE . 63.0 m-85 -83.32 158.24 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.037 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.8 mtm-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.923 0.392 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 7.7 ttpt -58.18 156.39 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 128' ' ' ILE . 23.2 mt -141.19 131.23 24.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -86.81 121.05 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 93.9 t -113.95 137.29 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.36 179.9 16.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 62.27 46.69 5.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.4 mt -102.09 161.69 13.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.31 161.74 13.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -48.14 -47.84 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -51.83 -54.43 29.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.622 ' NE2' HD22 ' A' ' 137' ' ' LEU . 10.0 mp0 -67.68 112.56 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.7 p -121.06 176.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -38.89 -42.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.19 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.22 -72.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 91' ' ' PHE . 82.8 t -39.09 -41.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 18.4 ttp180 -61.27 -62.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -61.51 -20.67 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.0 ttp -85.1 -22.81 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -98.54 -14.83 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 11.8 mt-10 -60.6 -42.27 87.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -15.0 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -119.02 31.1 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.21 176.5 14.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -93.25 131.1 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 91' ' ' PHE . 89.6 mt -93.07 130.99 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -101.47 -45.5 5.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -128.3 128.85 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.2 t -141.38 129.19 21.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 102' ' ' VAL . 72.8 m -145.19 159.15 43.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.514 ' N ' HG22 ' A' ' 101' ' ' THR . 96.6 t -119.45 131.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD21 ' CE2' ' A' ' 115' ' ' PHE . 39.1 mt -82.35 144.48 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -58.49 -34.67 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.15 23.49 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.3 m -141.39 156.37 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.71 162.86 40.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 103' ' ' LEU . 23.9 m-85 -114.17 123.73 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.54 137.17 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -121.86 120.85 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -92.2 154.56 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -53.27 -41.57 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -136.41 163.9 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.592 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 6.0 t60 -61.22 -55.88 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.24 -66.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -48.86 -36.12 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . -57.75 -53.81 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -42.5 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.8 -63.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.4 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -40.96 -67.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.694 HD11 HD22 ' A' ' 73' ' ' LEU . 80.7 mt -40.9 -57.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' ILE . 19.8 t-20 -35.05 -44.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 98.9 m -102.73 -71.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.635 ' HB3' HG21 ' A' ' 146' ' ' VAL . 9.8 mt -34.52 -53.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 39.7 t60 -35.67 116.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 144' ' ' LEU . 2.8 m 39.33 52.89 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.9 t -92.14 -74.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -99.47 175.47 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.1 m -129.95 77.0 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.622 HD22 ' NE2' ' A' ' 82' ' ' GLN . 74.0 mt -37.63 143.13 0.39 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.71 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.19 117.79 2.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.26 5.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.0 110.31 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 111.075 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.1 m -31.95 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 27.6 p -99.94 -175.56 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -73.18 -179.11 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.4 tp -66.67 97.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.55 110.76 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.635 HG21 ' HB3' ' A' ' 131' ' ' LEU . 25.1 t -123.07 130.78 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -158.78 -179.26 7.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -74.93 151.84 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.423 ' CB ' ' HE2' ' A' ' 72' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.838 0.352 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 73' ' ' LEU . 16.4 ttpp -47.31 142.61 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.936 HD22 HD11 ' A' ' 128' ' ' ILE . 58.0 mt -129.84 127.69 40.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -79.55 122.42 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -114.27 143.39 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.08 14.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.4 mmt 61.39 34.13 18.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.4 mt -90.51 150.95 21.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.29 146.4 18.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -39.51 -40.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.6 -49.67 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.536 ' HG2' HD13 ' A' ' 137' ' ' LEU . 7.6 mp0 -73.83 134.49 43.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 t -125.52 -179.64 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.13 -43.19 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.52 -36.47 76.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -70.56 -65.49 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.7 t -47.34 -46.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 28.8 ttt180 -56.88 -64.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.19 -20.04 62.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.6 ttp -84.96 -22.26 29.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.5 m-85 -100.12 -15.92 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 23.3 mt-10 -58.99 -42.17 92.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.588 0.708 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.7 Cg_exo -48.01 -15.08 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.674 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 59.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.67 175.77 14.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 119' ' ' GLN . 56.4 m -95.47 118.14 31.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 91' ' ' PHE . 81.1 mt -78.01 125.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -87.46 -49.02 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -135.5 127.58 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 36.5 t -126.32 109.93 12.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -120.28 141.52 49.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 114' ' ' ALA . 80.2 t -118.22 137.23 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.741 HD12 ' SG ' ' A' ' 113' ' ' CYS . 58.7 mt -86.6 115.99 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.953 0.406 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.73 -28.23 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.91 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 103' ' ' LEU . 28.3 p -161.66 152.47 17.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.413 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -162.42 153.55 17.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 103' ' ' LEU . 51.3 m-85 -104.86 133.23 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.27 129.85 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -113.2 125.83 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -93.73 166.38 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.6 tt0 -61.76 -37.5 84.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.0 p -142.53 139.37 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 12.8 t60 -38.65 -53.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -40.73 -68.14 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 42.5 mt-10 -36.37 -50.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -47.97 -61.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.63 -40.86 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -55.79 -57.06 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 94' ' ' PHE . . . -58.45 -53.77 54.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.936 HD11 HD22 ' A' ' 73' ' ' LEU . 64.4 mt -47.36 -58.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -41.41 -35.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 131' ' ' LEU . 89.4 m -101.67 -73.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.639 HD13 ' CE1' ' A' ' 91' ' ' PHE . 12.4 mt -34.97 -37.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.7 t60 -56.49 118.93 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 m 44.89 48.08 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -96.34 -70.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 135' ' ' ARG . 4.7 ptp180 -100.03 174.68 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.5 m -132.58 75.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.536 HD13 ' HG2' ' A' ' 82' ' ' GLN . 28.4 mt -37.96 141.99 0.47 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.11 128.96 17.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.45 43.04 54.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -132.82 109.89 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 11.9 p -31.89 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.3 t -100.2 -174.94 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.5 p -80.09 153.05 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 143' ' ' SER . 9.9 tp -35.22 115.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.44 104.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 131' ' ' LEU . 81.4 t -117.93 123.65 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -156.03 165.63 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -63.34 140.21 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 121' ' ' HIS . 16.5 mmt85 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.851 0.358 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 115' ' ' PHE . 43.0 tttt -47.69 139.38 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.844 HD22 HD11 ' A' ' 128' ' ' ILE . 32.3 mt -127.43 158.85 36.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -115.24 128.8 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.472 HG13 HG22 ' A' ' 146' ' ' VAL . 17.1 t -119.95 148.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.15 -162.32 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.6 mmt 45.31 32.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 144' ' ' LEU . 57.3 mt -86.94 162.55 17.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.74 155.53 16.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -50.87 -46.47 60.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.291 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -47.07 -55.69 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.432 ' HG3' HD22 ' A' ' 137' ' ' LEU . 36.3 mm-40 -67.39 141.85 56.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.6 p -136.68 175.81 9.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.617 ' CG ' HG23 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -42.57 -39.77 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.16 -62.21 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -53.73 -53.84 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.52 -53.24 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.625 ' HA ' HD13 ' A' ' 97' ' ' ILE . 45.5 ttt180 -55.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -58.97 -22.08 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttp -85.18 -21.22 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.615 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.5 m-85 -104.73 -6.87 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.4 mt-10 -68.2 -42.16 28.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -48.0 -15.2 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.48 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.8 m-85 -119.01 31.1 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.17 170.89 12.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.0 m -91.1 123.08 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 88' ' ' ARG . 70.3 mt -88.22 123.39 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.469 ' OD2' ' NE2' ' A' ' 119' ' ' GLN . 6.5 m-20 -94.68 -46.17 7.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -125.6 124.71 41.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.0 t -141.09 121.63 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.2 m -143.6 145.24 32.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.617 HG23 ' CG ' ' A' ' 84' ' ' ASP . 73.5 t -103.19 151.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 115' ' ' PHE . 43.3 mt -103.22 129.57 50.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -44.91 -39.35 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.62 30.87 1.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.3 p -161.92 152.0 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.32 162.04 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.517 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 30.1 m-85 -106.41 136.29 46.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.0 t -128.4 126.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -112.33 137.49 50.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -107.08 170.01 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.469 ' NE2' ' OD2' ' A' ' 98' ' ' ASP . 6.7 tp-100 -70.34 -41.29 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 121' ' ' HIS . 70.8 p -135.84 137.68 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.533 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 9.6 t60 -37.23 -57.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.61 -67.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.15 -41.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . -57.28 -62.22 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 126' ' ' ALA . 4.8 tp-100 -41.17 -55.9 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 125' ' ' GLN . . . -36.16 -62.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.519 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -47.47 -67.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.844 HD11 HD22 ' A' ' 73' ' ' LEU . 19.6 mt -38.97 -59.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' ILE . 53.1 t-20 -36.39 -38.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' HIS . 99.0 m -105.7 -72.29 0.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.519 HD12 ' HB1' ' A' ' 127' ' ' ALA . 14.9 mt -34.24 -35.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 62.0 t60 -53.37 110.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.8 p 52.75 30.2 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.4 p -70.46 -74.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -99.95 171.61 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.9 m -124.31 80.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' A' ' 82' ' ' GLN . 82.6 mt -36.3 143.93 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.3 128.41 14.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 62.11 56.48 22.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.99 110.14 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 140' ' ' ALA . 31.1 t -31.94 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -179.07 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 69.8 m -75.01 176.93 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.498 HD11 HD21 ' A' ' 78' ' ' LEU . 17.7 tp -61.82 89.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.84 122.09 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 144' ' ' LEU . 5.9 t -134.67 136.73 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -165.96 145.16 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -40.02 158.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -40.33 136.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 124' ' ' ALA . 18.9 mt -125.18 144.3 50.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -100.87 115.33 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.39 135.51 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.51 175.19 17.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.5 mmt 62.51 46.9 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 144' ' ' LEU . 94.1 mt -101.17 158.53 15.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.02 156.51 16.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -44.77 -42.26 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.698 0.285 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -50.87 -54.84 20.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -73.69 122.55 22.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 64.1 p -127.82 174.57 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 34.3 t0 -36.88 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' THR . 2.5 tp10 -72.7 -61.16 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.54 -50.82 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -55.33 -39.8 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' O ' HD12 ' A' ' 97' ' ' ILE . 32.5 ttt180 -69.95 -55.08 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -66.42 -20.07 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttp -87.77 -20.54 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.707 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.6 m-85 -102.47 -15.17 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.5 mm-40 -62.86 -42.19 76.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.3 Cg_exo -48.01 -15.06 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.495 ' HE2' HD21 ' A' ' 131' ' ' LEU . 62.3 m-85 -119.11 31.18 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.24 176.79 14.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.7 m -93.32 128.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.707 HD11 ' HB2' ' A' ' 91' ' ' PHE . 75.6 mt -95.01 117.92 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.19 -49.23 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -127.26 148.01 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.0 t -162.63 138.25 7.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 102' ' ' VAL . 93.3 m -155.91 153.1 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.403 ' N ' HG22 ' A' ' 101' ' ' THR . 47.3 t -115.45 128.99 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 115' ' ' PHE . 40.5 mt -76.05 122.14 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -38.87 -33.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.36 19.06 2.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.66 140.52 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.87 150.41 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 103' ' ' LEU . 44.3 m-85 -101.07 136.73 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.27 131.24 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 97' ' ' ILE . 46.7 tttp -115.18 118.48 33.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -89.04 162.35 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -66.53 -36.34 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 64.1 p -142.43 147.96 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -50.76 -50.31 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.55 -56.42 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.17 -50.39 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.43 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -46.9 -51.61 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 125' ' ' GLN . 6.4 tp60 -55.94 -41.28 74.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.23 -57.63 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.686 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -51.31 -63.71 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.6 mt -42.76 -61.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 128' ' ' ILE . 59.7 t-20 -34.96 -44.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 131' ' ' LEU . 93.1 m -100.51 -72.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.686 HD12 ' HB1' ' A' ' 127' ' ' ALA . 15.2 mt -35.2 -53.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.3 t60 -35.61 126.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 144' ' ' LEU . 44.4 t 34.59 53.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.4 t -95.86 -74.68 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 143' ' ' SER . 5.5 ptp85 -99.9 179.35 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.3 m -134.32 79.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.2 mt -39.38 142.26 0.61 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.7 126.16 12.18 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.96 43.78 32.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.57 109.43 8.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.0 m -32.06 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -100.1 -175.0 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 135' ' ' ARG . 3.2 p -83.08 160.07 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.0 tp -39.55 122.05 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.85 96.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.48 121.78 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -148.46 169.57 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -67.78 140.33 56.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -48.43 126.6 11.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 128' ' ' ILE . 81.4 mt -108.58 147.84 31.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -100.22 107.57 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.5 t -95.11 146.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.57 -171.51 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.96 39.01 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -94.68 158.81 15.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.9 153.66 16.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -50.18 -41.98 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -43.77 -50.46 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -67.41 151.06 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 p -134.71 158.71 43.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -40.18 -30.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.75 -50.82 47.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' VAL . 59.2 m-20 -52.85 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ASP . 95.8 t -38.11 -48.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -53.65 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.56 -17.68 64.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.417 ' SD ' ' NH1' ' A' ' 135' ' ' ARG . 26.2 ttp -86.04 -24.21 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.632 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -102.8 -13.63 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 18.0 mm-40 -61.64 -42.25 82.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.2 Cg_exo -47.94 -15.16 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 60.9 m-85 -118.98 31.12 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.92 173.05 13.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.5 m -93.1 123.66 36.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 91' ' ' PHE . 68.0 mt -91.27 124.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 -36.39 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 100' ' ' CYS . 5.3 tm-20 -137.12 145.68 44.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 99' ' ' GLU . 53.5 t -153.0 131.14 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.5 m -154.28 145.03 22.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 114' ' ' ALA . 86.7 t -107.86 144.67 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 115' ' ' PHE . 53.2 mt -94.01 124.16 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.973 0.416 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -62.91 -36.79 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.29 41.85 0.62 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -163.87 150.93 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB2' HG22 ' A' ' 102' ' ' VAL . . . -156.28 153.38 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 103' ' ' LEU . 61.5 m-85 -102.17 125.65 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.445 HG11 ' CD2' ' A' ' 91' ' ' PHE . 72.1 t -115.86 109.33 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 97' ' ' ILE . 8.9 ttmm -91.24 122.69 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 11.4 m-85 -95.65 167.59 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -67.99 -34.1 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.8 p -149.12 162.01 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.71 -44.89 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.16 -71.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -42.27 -50.23 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.452 ' HA ' ' CD2' ' A' ' 118' ' ' PHE . . . -48.55 -44.95 36.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.02 -40.39 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -49.26 -69.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.48 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -36.29 -63.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.501 HD11 HD22 ' A' ' 73' ' ' LEU . 57.2 mt -39.89 -63.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' ILE . 12.9 t-20 -35.79 -44.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LEU . 48.2 m -96.52 -74.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.48 HD12 ' HB1' ' A' ' 127' ' ' ALA . 10.5 mt -34.9 -59.01 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.7 t60 -37.51 117.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t 50.9 45.61 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.6 t -95.94 -75.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.417 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 9.2 ptm180 -100.04 177.51 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 m -132.69 85.13 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.65 152.57 0.89 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.6 126.14 11.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.614 2.209 . . . . 0.0 112.374 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.06 18.23 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.91 112.03 17.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.6 t -32.39 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.3 m -95.65 -174.98 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.2 m -72.83 -175.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.0 tp -70.92 125.72 27.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.25 111.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 t -119.67 109.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.44 141.89 35.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -44.65 132.24 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.88 0.371 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -127.49 138.57 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.696 HD22 HD11 ' A' ' 128' ' ' ILE . 64.2 mt -120.99 132.66 55.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -88.75 110.1 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.419 ' CG1' HD11 ' A' ' 144' ' ' LEU . 47.4 t -98.0 141.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.457 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -139.17 179.34 18.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.521 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.26 50.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.342 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.79 146.35 29.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.91 149.37 19.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -59.24 -18.98 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -73.56 -42.96 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -69.77 153.18 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -136.97 174.95 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -45.59 -52.56 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -46.4 -53.07 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.22 -69.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.01 -59.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.46 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 8.9 ttm180 -51.49 -55.74 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -61.53 -23.19 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.7 ttp -86.01 -20.46 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.482 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.4 m-85 -99.94 -19.29 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 6.9 mm-40 -57.65 -42.48 95.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.96 -14.86 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 69.4 m-85 -118.81 31.17 6.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.74 176.39 14.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 m -92.54 139.1 30.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.69 0.281 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.482 HD11 ' HB2' ' A' ' 91' ' ' PHE . 97.0 mt -99.97 120.66 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.63 -39.61 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -136.74 140.64 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 45.4 t -152.96 118.54 5.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.4 m -135.64 144.91 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.66 136.3 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 115' ' ' PHE . 25.3 mt -92.93 130.22 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.945 0.402 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -56.52 -25.78 52.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.01 30.93 6.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.84 138.49 16.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.09 151.07 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 103' ' ' LEU . 42.0 m-85 -104.08 116.55 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.8 t -107.05 137.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -119.13 131.1 55.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -101.65 158.46 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.06 -40.17 92.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -138.81 146.14 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -50.69 -46.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.14 -53.04 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.51 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -45.56 -45.92 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -52.13 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.04 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.577 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -47.07 -65.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.696 HD11 HD22 ' A' ' 73' ' ' LEU . 54.2 mt -44.12 -55.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 128' ' ' ILE . 14.3 t-20 -34.98 -40.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 131' ' ' LEU . 70.6 m -109.63 -68.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.577 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.0 mt -35.81 -48.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.564 ' HB2' HG23 ' A' ' 128' ' ' ILE . 37.2 t60 -54.03 108.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t 64.11 47.48 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 92.3 p -99.87 -74.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -100.02 159.99 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 42.1 m -120.71 75.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 136' ' ' THR . 75.7 mt -35.12 152.92 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.588 0.709 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.86 121.01 7.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 33.19 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.07 115.09 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.731 0.3 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 140' ' ' ALA . 63.2 m -32.39 -76.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 37.2 m -100.08 -177.38 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' LEU . 1.3 t -76.19 174.91 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 76' ' ' GLY . 28.8 tp -54.57 108.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.47 100.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.432 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 11.1 t -115.1 108.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -144.9 144.33 31.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -38.93 145.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.937 0.399 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.562 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 19.6 ttpt -40.51 141.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 128' ' ' ILE . 45.8 mt -125.56 146.45 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -99.16 119.39 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.442 HG22 HG13 ' A' ' 146' ' ' VAL . 21.7 t -110.79 138.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.37 -173.97 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG3' HG23 ' A' ' 145' ' ' VAL . 13.0 mmt 59.44 33.86 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.13 157.84 16.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.16 155.66 16.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -48.26 -40.84 26.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -50.68 -54.37 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.762 ' HG3' HD13 ' A' ' 137' ' ' LEU . 32.5 mm-40 -72.9 142.23 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ASP . 42.6 p -139.81 169.8 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 5.0 t70 -36.56 -37.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.99 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 90' ' ' MET . 5.9 m-20 -59.26 -55.92 28.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.37 -54.76 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -52.51 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -61.41 -19.93 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.478 ' CB ' ' O ' ' A' ' 86' ' ' ASP . 21.1 ttp -85.35 -22.14 28.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 131' ' ' LEU . 3.1 m-85 -100.38 -15.74 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 19.2 mt-10 -59.73 -42.2 90.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.6 Cg_exo -47.94 -14.68 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.558 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 60.5 m-85 -118.6 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 128.1 165.8 11.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -83.36 131.24 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 91' ' ' PHE . 81.3 mt -94.77 132.87 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -101.86 -44.18 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -132.54 133.54 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 38.8 t -148.38 116.41 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -134.97 135.7 41.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.487 HG22 ' CB ' ' A' ' 114' ' ' ALA . 97.7 t -98.99 149.52 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.31 119.71 33.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.982 0.42 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -50.61 -25.8 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.67 33.11 1.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 p -165.3 147.98 7.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.487 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -155.35 157.11 36.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CD1' ' HE3' ' A' ' 72' ' ' LYS . 48.3 m-85 -105.03 130.38 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 65.0 t -119.39 135.52 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -119.18 128.3 54.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 25.5 m-85 -98.1 164.7 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.85 -25.2 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.8 p -148.71 155.68 41.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -59.31 -56.63 19.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.18 -55.46 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 34.8 mm-40 -50.53 -57.65 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -40.73 -61.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.35 -51.19 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -40.25 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -40.83 -61.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 73' ' ' LEU . 96.5 mt -47.49 -45.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -47.48 -39.09 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' LEU . 54.5 m -108.28 -66.0 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 127' ' ' ALA . 11.7 mt -35.13 -43.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 33.4 t60 -47.07 121.12 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' HIS . 21.9 t 36.87 53.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -99.95 -69.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -99.68 172.52 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -127.46 81.17 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.762 HD13 ' HG3' ' A' ' 82' ' ' GLN . 88.4 mt -41.16 143.44 0.77 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -46.89 123.39 7.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.92 53.52 14.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.98 111.58 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 111.064 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 18.9 m -32.4 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.5 m -100.03 -175.33 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 m -73.06 176.85 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.07 103.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 77' ' ' MET . 85.0 t -78.58 115.54 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 131' ' ' LEU . 3.5 t -123.99 132.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -156.64 -179.3 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -78.55 149.73 32.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 39.7 mtt85 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.88 0.372 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.528 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 27.6 ttmt -35.76 138.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.66 HD22 HD11 ' A' ' 128' ' ' ILE . 17.9 mt -118.32 141.43 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -95.56 113.05 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.6 t -108.18 129.6 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -120.59 -171.02 14.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.6 mmt 52.83 42.21 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 mt -96.6 150.71 20.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.79 149.03 17.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -40.85 -43.12 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.713 0.292 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -48.64 -56.18 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -66.19 122.08 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' ASP . 68.0 p -121.22 166.69 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.92 -28.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.6 tp10 -73.98 -43.42 58.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' THR . 39.1 m-20 -65.33 -60.83 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' PHE . 55.5 t -46.33 -55.71 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 14.9 ttt180 -51.39 -63.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -59.32 -21.75 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttp -88.79 -19.01 26.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 87' ' ' VAL . 3.6 m-85 -103.28 -17.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.4 mt-10 -62.58 -42.21 77.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.96 -15.3 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.474 ' HE2' HD21 ' A' ' 131' ' ' LEU . 63.9 m-85 -119.03 31.1 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.55 170.41 12.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.3 m -91.84 126.89 37.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 117' ' ' LYS . 55.8 mt -91.34 126.16 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.42 -30.92 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -141.12 138.8 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.0 t -148.18 128.11 13.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 m -155.69 141.72 18.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.48 150.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 115' ' ' PHE . 48.0 mt -99.6 119.58 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.98 0.419 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -46.14 -32.37 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.13 16.05 5.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -151.39 150.49 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.46 163.3 37.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.528 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.1 m-85 -112.7 131.53 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.6 t -124.39 118.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 97' ' ' ILE . 20.5 ttmt -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.8 158.99 15.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.71 -31.72 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 46.4 p -140.59 158.74 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -65.78 -43.78 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.41 -43.42 44.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.25 -49.92 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.576 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -49.05 -42.6 39.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -69.57 -39.2 77.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.43 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.528 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -54.12 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.66 HD11 HD22 ' A' ' 73' ' ' LEU . 61.3 mt -44.34 -55.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 128' ' ' ILE . 57.9 t-20 -34.95 -40.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 131' ' ' LEU . 94.3 m -107.57 -69.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.528 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.7 mt -35.54 -45.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.479 ' HB2' HG23 ' A' ' 128' ' ' ILE . 69.3 t60 -50.31 119.85 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.4 p 47.3 47.41 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 t -96.46 -75.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 135' ' ' ARG . 4.8 ptp180 -98.81 168.9 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.1 m -126.77 80.25 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.6 152.27 0.54 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.25 130.51 17.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.02 17.52 53.41 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -125.61 112.08 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.9 m -32.4 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.3 m -95.1 -175.43 3.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.0 m -70.05 -178.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 76' ' ' GLY . 28.9 tp -72.98 113.48 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.1 t -84.1 110.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.41 119.22 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -146.78 -177.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -78.25 156.2 29.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 8.3 ttpt -47.75 136.79 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.755 HD22 HD11 ' A' ' 128' ' ' ILE . 79.8 mt -124.23 134.54 53.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -90.68 121.35 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 146' ' ' VAL . 39.0 t -112.51 133.24 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.15 -177.66 14.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 mmt 59.82 32.78 21.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 137' ' ' LEU . 83.5 mt -86.98 165.72 15.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.14 148.51 18.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.52 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -53.48 -46.01 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -43.74 -50.7 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.652 HE21 HD13 ' A' ' 137' ' ' LEU . 1.2 mp0 -60.09 156.21 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 85' ' ' GLU . 30.2 p -135.16 156.54 48.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.637 ' CG ' HG23 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -41.51 -25.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 83' ' ' THR . 12.9 mt-10 -73.5 -50.93 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -50.21 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG13 ' CE1' ' A' ' 91' ' ' PHE . 99.2 t -38.77 -50.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.475 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 61.2 ttt-85 -50.65 -66.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -59.78 -20.31 55.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttp -85.42 -21.62 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.427 ' C ' ' HD2' ' A' ' 93' ' ' PRO . 3.9 m-85 -104.56 -16.89 14.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.9 mt-10 -58.31 -42.2 93.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -48.02 -14.94 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.433 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.8 m-85 -118.81 30.97 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.96 154.78 8.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.9 m -72.55 135.47 45.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 59.3 mt -98.27 117.32 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.424 ' OD1' ' NE2' ' A' ' 119' ' ' GLN . 12.1 m-20 -76.23 -50.69 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -130.69 149.3 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.69 116.46 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -136.67 135.09 37.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 84' ' ' ASP . 74.7 t -96.14 147.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.524 HD11 ' CE2' ' A' ' 115' ' ' PHE . 90.1 mt -95.22 129.24 42.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -48.43 -28.01 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.38 33.18 2.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.38 150.3 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.878 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.21 165.58 30.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.524 ' CE2' HD11 ' A' ' 103' ' ' LEU . 20.9 m-85 -116.16 124.92 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.66 121.4 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -105.73 108.86 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -78.7 165.44 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.424 ' NE2' ' OD1' ' A' ' 98' ' ' ASP . 6.1 tp-100 -73.97 -28.77 61.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.3 p -145.7 155.13 42.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -57.71 -57.24 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.55 -56.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -54.5 -43.33 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.7 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -67.54 -39.72 85.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -55.22 27.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.505 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -51.46 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.755 HD11 HD22 ' A' ' 73' ' ' LEU . 74.3 mt -46.02 -58.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 41.4 t30 -35.24 -38.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' LEU . 71.9 m -107.2 -70.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.505 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.5 mt -36.86 -41.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.1 t60 -50.41 123.75 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t 41.08 51.48 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.0 p -99.86 -74.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -98.9 -177.27 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.9 m -139.23 105.92 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.652 HD13 HE21 ' A' ' 82' ' ' GLN . 42.2 mt -71.09 143.5 88.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.12 121.64 5.44 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.737 2.292 . . . . 0.0 112.345 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.34 42.9 11.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.03 108.07 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 36.5 m -31.42 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.4 p -99.54 -175.07 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.9 m -77.9 156.43 30.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 143' ' ' SER . 11.9 tp -35.02 106.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.21 104.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.498 HG13 HG22 ' A' ' 75' ' ' VAL . 2.9 t -117.25 126.23 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -156.84 153.82 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -50.0 142.36 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' NE ' ' HE3' ' A' ' 117' ' ' LYS . 5.2 ptt180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.935 0.397 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.0 ttpt -36.56 142.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.952 HD21 ' HB1' ' A' ' 124' ' ' ALA . 18.9 mt -128.01 149.78 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -105.13 113.63 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 t -103.25 139.62 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.87 -176.15 14.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 56.04 45.14 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 mt -99.4 161.64 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.02 155.8 16.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -59.19 -17.5 28.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.733 0.301 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -75.2 -49.05 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.61 HE21 HD22 ' A' ' 137' ' ' LEU . 0.5 OUTLIER -69.29 138.06 53.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.454 HG22 ' OD2' ' A' ' 86' ' ' ASP . 13.8 t -131.55 172.42 12.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.49 -48.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.04 -60.6 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' A' ' 83' ' ' THR . 22.2 m-20 -51.07 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.8 t -45.49 -59.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.615 ' HG3' HD12 ' A' ' 97' ' ' ILE . 57.8 ttt180 -49.38 -61.46 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -59.71 -22.81 62.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 86' ' ' ASP . 17.4 ttp -86.39 -19.97 28.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.467 ' CE1' HD13 ' A' ' 131' ' ' LEU . 4.1 m-85 -104.33 -11.9 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 20.9 mm-40 -63.75 -42.25 70.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -47.97 -14.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -118.79 31.15 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.71 169.41 12.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.7 m -89.24 133.88 34.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 111.19 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.615 HD12 ' HG3' ' A' ' 88' ' ' ARG . 53.0 mt -98.34 118.28 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -43.02 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -139.85 159.39 42.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.6 t -164.82 120.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -129.31 126.66 39.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -96.32 137.92 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.408 HD12 ' SG ' ' A' ' 113' ' ' CYS . 55.6 mt -88.89 133.6 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -56.48 -39.28 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.09 38.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.408 ' SG ' HD12 ' A' ' 103' ' ' LEU . 7.2 p -170.93 146.22 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.32 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -97.52 117.38 31.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.4 t -103.86 141.59 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HE3' ' NE ' ' A' ' 71' ' ' ARG . 24.2 tttp -122.39 115.45 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -88.83 164.88 15.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.17 -37.62 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' HIS . 82.1 p -144.54 136.57 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 7.3 t60 -35.86 -48.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -43.71 -72.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -37.37 -53.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.952 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -41.74 -43.81 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -56.1 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.89 -46.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.495 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -58.52 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.783 HD11 HD22 ' A' ' 73' ' ' LEU . 75.6 mt -47.96 -58.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' ILE . 24.5 t30 -34.47 -39.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' LEU . 91.1 m -107.54 -72.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.495 HD12 ' HB1' ' A' ' 127' ' ' ALA . 12.0 mt -34.38 -39.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 32.2 t60 -55.46 111.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.6 t 58.5 49.32 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 m -99.96 -74.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.403 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 18.5 ptp180 -99.5 171.31 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.6 m -128.39 72.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.61 HD22 HE21 ' A' ' 82' ' ' GLN . 43.1 mt -34.84 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.06 126.98 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.5 45.3 18.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.56 109.08 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.8 m -32.17 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.8 t -100.2 -174.98 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.2 m -70.82 176.65 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.46 109.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.9 t -82.41 109.98 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 4.1 t -124.87 124.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -156.91 148.26 22.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -42.03 162.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -45.94 126.04 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.623 HD22 HD11 ' A' ' 128' ' ' ILE . 87.2 mt -111.48 146.73 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -98.92 110.18 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.01 147.74 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -146.29 -179.25 22.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.419 ' O ' HD12 ' A' ' 137' ' ' LEU . 20.4 mmt 60.67 38.09 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.05 171.54 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.81 169.79 14.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -4.35 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.692 0.282 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -96.88 -54.6 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.646 ' NE2' HD13 ' A' ' 137' ' ' LEU . 11.8 mt-30 -45.83 154.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 p -139.86 177.54 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' A' ' 102' ' ' VAL . 0.9 OUTLIER -53.28 -27.37 22.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -69.98 -55.39 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.4 -61.48 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 79.8 t -49.27 -40.55 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.481 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 16.0 ttm180 -65.26 -61.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -61.0 -20.99 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.8 ttp -87.48 -19.9 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.641 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -101.73 -12.11 18.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 22.8 mt-10 -66.11 -42.14 48.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.8 Cg_exo -47.95 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.517 ' HE2' HD21 ' A' ' 131' ' ' LEU . 61.2 m-85 -118.78 31.18 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.27 177.0 14.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -91.63 137.89 32.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 91' ' ' PHE . 67.2 mt -98.47 126.86 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.57 -32.13 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -152.51 160.44 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.4 t -169.99 123.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -140.83 139.1 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.564 HG23 ' OD2' ' A' ' 84' ' ' ASP . 65.4 t -95.82 144.34 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.741 HD11 ' CE2' ' A' ' 115' ' ' PHE . 35.9 mt -98.45 121.48 40.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.924 0.393 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -72.62 -27.84 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.85 28.0 3.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -157.96 148.64 20.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.06 158.21 43.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.741 ' CE2' HD11 ' A' ' 103' ' ' LEU . 38.3 m-85 -105.85 120.4 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 91' ' ' PHE . 74.1 t -114.27 115.11 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -102.96 113.41 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -79.89 174.41 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -73.81 -38.79 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.4 p -142.23 148.64 38.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 11.6 t60 -41.71 -64.04 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -34.48 -59.47 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.33 -47.3 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.59 74.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -64.99 -39.19 93.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.19 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -39.92 -58.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.623 HD11 HD22 ' A' ' 73' ' ' LEU . 68.9 mt -45.1 -61.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' ILE . 3.0 m120 -35.43 -42.53 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LEU . 18.5 m -100.15 -73.83 0.62 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.517 HD21 ' HE2' ' A' ' 94' ' ' PHE . 11.6 mt -34.4 -66.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 131' ' ' LEU . 56.8 t60 -35.99 110.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.8 t 59.44 47.3 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 131' ' ' LEU . 5.4 t -98.93 -75.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -99.96 -175.83 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.8 m -127.9 74.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.77 HD11 HD13 ' A' ' 144' ' ' LEU . 70.6 mt -34.91 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.551 0.691 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 120.69 7.1 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.97 24.71 29.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -128.63 108.07 10.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 140' ' ' ALA . 21.0 m -31.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.0 m -91.04 -174.99 4.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.9 m -71.34 174.45 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 137' ' ' LEU . 51.0 tp -61.2 137.82 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 18.3 t -106.03 118.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.1 t -132.63 107.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -140.95 151.29 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -49.05 150.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.889 0.375 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 15.5 ttmt -49.89 149.43 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' ' 128' ' ' ILE . 86.3 mt -132.19 134.16 45.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -89.79 121.03 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 141.36 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.25 -170.83 12.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.38 38.18 24.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 137' ' ' LEU . 36.5 mt -90.01 163.68 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -116.09 163.05 12.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -63.79 -43.76 95.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -50.31 -54.64 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' OE1' ' CG ' ' A' ' 86' ' ' ASP . 43.6 mm-40 -62.23 151.81 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -137.14 -177.14 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -56.69 -30.74 63.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.65 -44.88 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.438 ' CG ' ' OE1' ' A' ' 82' ' ' GLN . 47.5 m-20 -62.27 -73.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.523 HG13 ' CE1' ' A' ' 91' ' ' PHE . 96.1 t -41.84 -34.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -66.08 -62.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -66.26 -16.66 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.9 ttp -85.71 -23.16 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.523 ' CE1' HG13 ' A' ' 87' ' ' VAL . 3.8 m-85 -99.77 -15.17 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.2 mt-10 -60.5 -42.19 87.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 63.7 Cg_exo -47.98 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 63.8 m-85 -118.83 31.1 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 126.52 154.94 8.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -76.87 116.86 17.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.299 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 117' ' ' LYS . 71.2 mt -73.3 127.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.25 -27.06 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -152.85 149.78 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 43.6 t -158.69 119.21 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.7 m -143.03 129.94 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.7 t -87.56 150.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 115' ' ' PHE . 39.6 mt -101.35 122.96 44.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.938 0.399 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -72.22 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.53 42.55 0.8 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 p -169.05 156.13 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.55 154.69 32.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.2 m-85 -105.41 113.13 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.53 125.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 97' ' ' ILE . 12.3 tttp -107.87 137.22 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.587 ' HB2' ' HB2' ' A' ' 124' ' ' ALA . 23.4 m-85 -106.95 160.33 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -61.69 -28.71 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.9 p -150.33 170.81 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' ALA . 73.3 t60 -68.59 -62.36 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.2 -46.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.28 -50.08 67.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.587 ' HB2' ' HB2' ' A' ' 118' ' ' PHE . . . -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.46 HE22 ' ND2' ' A' ' 129' ' ' ASN . 1.5 tm0? -65.62 -40.63 92.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -48.45 -50.24 32.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -53.67 -55.48 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.679 HD11 HD22 ' A' ' 73' ' ' LEU . 82.3 mt -47.43 -58.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.46 ' ND2' HE22 ' A' ' 125' ' ' GLN . 26.1 m120 -35.46 -40.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 77.1 m -105.35 -71.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 127' ' ' ALA . 9.9 mt -34.78 -47.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.438 ' ND1' ' O ' ' A' ' 146' ' ' VAL . 15.7 t60 -49.61 118.23 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 t 50.82 47.17 25.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 t -98.51 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 176.03 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -133.38 81.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 78' ' ' LEU . 37.8 mt -41.03 142.21 0.88 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.74 120.24 4.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.51 48.71 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.83 106.89 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 140' ' ' ALA . 41.3 t -31.23 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.7 m -98.75 -174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.8 m -74.77 172.44 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.65 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.05 102.5 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.438 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 37.8 t -115.85 117.45 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 148' ' ' PHE . 6.1 pttm -152.93 138.86 18.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.57 ' HA ' HD23 ' A' ' 73' ' ' LEU . 55.3 m-85 -37.34 152.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.887 0.375 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -56.69 147.78 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 128' ' ' ILE . 29.0 mt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -94.17 117.16 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 t -104.76 138.93 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.73 176.35 19.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 mmt 62.08 44.04 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 72.6 mt -100.28 162.94 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -124.88 157.59 19.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.431 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -48.54 -35.94 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -56.57 -45.71 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 8.4 mp0 -75.55 132.06 40.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.453 HG23 ' H ' ' A' ' 85' ' ' GLU . 14.2 t -134.51 169.62 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.5 p-10 -36.77 -39.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' H ' HG23 ' A' ' 83' ' ' THR . 6.0 mp0 -63.6 -54.62 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.5 -65.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.85 -50.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.483 ' HA ' HD13 ' A' ' 97' ' ' ILE . 40.3 ttt180 -53.37 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.78 -19.86 60.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 30.1 ttp -84.12 -23.19 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.639 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.1 m-85 -101.77 -12.61 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.8 mt-10 -60.71 -42.22 86.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.76 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.97 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.556 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 65.7 m-85 -118.63 30.93 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 124.25 161.39 11.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.4 m -76.1 132.56 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 91' ' ' PHE . 63.8 mt -96.52 125.48 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.28 -39.71 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 44.3 tp10 -128.88 152.91 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 44.1 t -170.62 115.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -133.44 135.73 44.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.411 HG13 ' HB2' ' A' ' 114' ' ' ALA . 22.2 t -101.89 126.5 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 115' ' ' PHE . 42.6 mt -82.48 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.907 0.384 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -59.36 -21.43 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.41 39.57 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -163.83 149.65 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.345 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -159.14 154.45 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 103' ' ' LEU . 52.8 m-85 -102.54 133.27 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 91' ' ' PHE . 97.0 t -124.56 124.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -106.65 145.43 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -115.82 149.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -49.79 -31.36 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.6 p -152.8 142.18 21.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' ALA . 10.0 t60 -42.4 -51.01 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -38.03 -62.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 124' ' ' ALA . 53.0 mm-40 -48.57 -59.02 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.531 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -36.8 -54.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -49.05 -58.07 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.57 -63.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -41.62 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 73' ' ' LEU . 96.7 mt -40.6 -64.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 9.5 t-20 -34.47 -38.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 m -102.49 -71.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.638 HD12 ' HB1' ' A' ' 127' ' ' ALA . 16.4 mt -39.04 -46.34 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.0 t60 -45.92 117.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t 45.17 53.05 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 88.7 p -96.65 -73.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -99.51 171.94 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.3 m -125.35 87.31 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.0 mt -48.55 153.4 1.38 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.77 125.29 10.93 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 18.41 50.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.52 112.12 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.2 m -32.72 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.4 p -93.37 -176.91 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 m -76.77 174.23 10.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 24.1 tp -55.02 121.22 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.24 102.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.6 t -112.59 122.57 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -151.99 161.82 42.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -60.37 142.47 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -61.64 142.75 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.906 HD22 HD11 ' A' ' 128' ' ' ILE . 26.7 mt -124.92 138.02 54.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -88.87 123.29 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 146' ' ' VAL . 4.6 t -116.19 145.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -143.18 -178.1 18.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.5 mmt 57.75 35.65 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.9 mt -88.63 152.78 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.68 150.28 18.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -40.64 -29.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.6 -49.01 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.641 ' HG2' HD13 ' A' ' 137' ' ' LEU . 19.4 mp0 -73.6 110.85 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -121.27 176.05 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.01 -58.0 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -55.86 -65.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.5 t -39.79 -54.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 25.3 ttt180 -51.83 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -62.59 -20.23 64.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.8 ttp -86.83 -23.06 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.621 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.3 m-85 -99.47 -17.0 18.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 5.7 mm-40 -59.99 -42.15 88.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -48.0 -14.71 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 54.1 m-85 -118.7 31.1 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.05 -179.37 16.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 m -95.47 137.65 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 91' ' ' PHE . 64.8 mt -99.36 126.39 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.71 -36.74 16.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -137.65 154.72 49.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.7 t -159.8 137.3 9.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.1 m -159.7 138.58 10.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 114' ' ' ALA . 41.6 t -109.21 143.25 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 115' ' ' PHE . 45.0 mt -92.19 123.29 35.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.939 0.399 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -44.46 -39.87 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.45 0.38 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.0 p -169.03 147.69 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.52 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -152.75 156.79 39.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 103' ' ' LEU . 60.2 m-85 -109.36 128.64 55.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.68 136.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 97' ' ' ILE . 25.6 tttp -118.06 117.06 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 14.8 m-85 -89.34 165.49 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -69.02 -34.93 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.9 p -141.64 140.73 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -44.52 -38.75 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.11 -59.58 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -50.23 -40.99 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.657 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -57.9 -40.09 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -68.98 -45.51 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.0 51.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 94' ' ' PHE . . . -87.33 -50.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.906 HD11 HD22 ' A' ' 73' ' ' LEU . 41.8 mt -61.82 -20.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -25.09 38.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 134' ' ' SER . 98.4 m -110.94 -10.88 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 132' ' ' HIS . 14.0 mt -100.52 -59.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 133' ' ' SER . 63.3 t60 -36.27 126.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' HIS . 5.6 t 33.53 40.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 130' ' ' THR . 46.0 m -100.19 -72.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.407 HH11 ' CB ' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -99.78 161.95 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.0 m -123.02 96.08 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.641 HD13 ' HG2' ' A' ' 82' ' ' GLN . 20.6 mt -48.41 141.56 9.05 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.88 113.72 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 82.32 46.54 6.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.83 108.94 8.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.9 m -32.22 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 m -99.62 165.79 11.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.4 m -60.05 161.81 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.595 HD13 HD11 ' A' ' 137' ' ' LEU . 21.2 tp -55.26 116.63 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.5 t -86.01 116.96 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.572 HG22 HG13 ' A' ' 75' ' ' VAL . 17.3 t -134.63 131.57 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -166.64 156.66 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -53.12 123.34 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 72' ' ' LYS . 29.4 mtm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.9 ttpm? -36.73 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.863 HD22 HD11 ' A' ' 128' ' ' ILE . 47.1 mt -136.32 148.0 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -99.68 122.26 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -113.5 121.61 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.88 -176.13 16.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.797 ' HG3' HG23 ' A' ' 145' ' ' VAL . 22.3 mmt 61.32 32.95 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.8 mt -89.01 161.9 16.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.89 156.62 16.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -51.99 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.701 0.286 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -54.01 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.91 147.43 52.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -138.84 177.6 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' HB3' HG23 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -47.14 -47.73 23.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.29 -51.09 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -59.49 -68.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.6 t -41.17 -49.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.84 -58.48 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -63.37 -20.54 65.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttp -86.94 -21.26 26.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -99.27 -15.07 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.6 mt-10 -62.53 -42.14 77.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -14.64 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.543 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 71.5 m-85 -118.61 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.42 175.81 14.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 m -92.18 134.99 34.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.108 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 91' ' ' PHE . 48.1 mt -96.96 123.36 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -77.85 -45.42 24.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 10.9 tp10 -142.46 155.45 45.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.9 t -160.84 131.1 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.6 m -147.86 135.84 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.179 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 84' ' ' ASP . 64.8 t -98.91 137.44 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 115' ' ' PHE . 41.2 mt -86.81 146.93 26.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 60.0 mtm-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.976 0.417 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -48.2 -29.38 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.25 28.54 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.489 ' SG ' HD12 ' A' ' 103' ' ' LEU . 22.9 p -158.75 148.38 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.28 157.72 43.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' A' ' 103' ' ' LEU . 23.0 m-85 -113.04 128.89 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.0 t -119.93 129.96 74.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -114.98 105.83 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -75.86 151.75 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.92 -35.8 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.0 p -144.52 166.61 24.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 8.2 t60 -63.73 -53.47 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.43 -67.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -48.7 -54.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -41.67 -39.14 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -72.97 -38.18 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.68 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.621 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.69 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.863 HD11 HD22 ' A' ' 73' ' ' LEU . 82.6 mt -42.02 -58.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.8 -39.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 131' ' ' LEU . 76.3 m -101.81 -72.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.621 HD12 ' HB1' ' A' ' 127' ' ' ALA . 17.4 mt -35.44 -52.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.1 t60 -40.72 118.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 25.0 t 51.76 47.69 24.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -99.1 -73.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -99.69 172.93 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 m -128.21 76.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 50.4 mt -40.47 152.34 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.54 129.51 15.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.65 16.86 56.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -123.36 111.34 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.4 t -32.44 -75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 65.8 m -95.45 178.04 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.5 p -62.29 -177.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.9 tp -70.83 131.01 43.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.797 HG23 ' HG3' ' A' ' 77' ' ' MET . 99.3 t -102.64 99.0 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.71 124.5 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -153.84 -179.59 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.486 ' HA ' HD23 ' A' ' 73' ' ' LEU . 61.0 m-85 -72.8 154.21 40.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HE2' ' CG ' ' A' ' 115' ' ' PHE . 35.2 tttt -51.5 121.43 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.673 HD21 ' HB1' ' A' ' 124' ' ' ALA . 44.2 mt -110.79 139.11 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -94.06 113.29 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -104.17 138.5 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -169.14 11.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.1 mmt 53.44 37.61 26.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.08 158.72 15.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.49 155.32 16.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -56.03 -45.61 79.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -47.21 -63.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.804 HE21 HD22 ' A' ' 137' ' ' LEU . 30.6 mm-40 -45.48 151.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.7 p -132.76 176.88 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -35.67 60.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -64.71 -43.08 94.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.17 -74.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -41.03 -48.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 97' ' ' ILE . 22.4 ttp180 -54.53 -68.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.27 -21.64 35.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttp -83.73 -23.06 31.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -102.34 -8.71 20.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 46.6 mt-10 -64.74 -42.19 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.91 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.439 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 64.5 m-85 -118.57 31.11 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 125.75 166.16 12.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 m -82.47 135.6 35.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.097 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 88' ' ' ARG . 73.6 mt -96.16 119.9 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.45 -43.62 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -137.88 140.43 40.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 t -151.46 124.41 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.2 m -146.63 136.97 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 114' ' ' ALA . 3.3 t -95.49 125.27 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.619 HD11 ' CE2' ' A' ' 115' ' ' PHE . 85.6 mt -65.58 112.52 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -49.8 -20.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.72 27.27 8.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.36 138.32 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.642 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -140.61 144.59 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CE2' HD11 ' A' ' 103' ' ' LEU . 40.1 m-85 -96.56 125.69 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 56.7 t -116.43 119.84 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -106.2 101.93 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -70.43 170.07 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.84 -37.14 86.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 69.5 p -146.33 173.71 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 122' ' ' ALA . 12.0 t60 -61.15 -62.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.61 -63.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -44.85 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.673 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -55.83 -37.97 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.71 -49.59 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.2 -54.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.406 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.25 -68.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.3 mt -42.34 -56.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.0 t-20 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LEU . 28.7 m -104.86 -71.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' THR . 11.4 mt -34.4 -57.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 40.4 t60 -35.18 107.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 t 59.01 50.5 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 131' ' ' LEU . 2.1 t -99.46 -74.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -99.51 177.28 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.0 m -133.96 77.48 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.804 HD22 HE21 ' A' ' 82' ' ' GLN . 60.0 mt -36.92 141.85 0.38 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.52 118.63 3.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.02 53.22 4.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.05 110.58 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.0 m -32.4 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.9 m -100.18 -175.1 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -71.56 171.95 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.83 108.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.6 122.74 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 t -136.81 114.36 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -144.74 -176.91 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -78.23 143.05 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -40.1 143.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 128' ' ' ILE . 75.0 mt -127.64 138.43 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -90.19 108.78 19.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.16 131.32 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.25 -178.03 15.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.7 mmt 60.26 41.89 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 137' ' ' LEU . 31.4 mt -98.71 163.43 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.68 157.53 20.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.73 -45.23 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -43.59 -52.15 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -76.04 144.82 40.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -133.49 172.22 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -43.35 -39.51 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.18 -48.34 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -62.95 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.19 -58.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 35.6 ttt180 -48.26 -62.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -59.35 -22.22 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.0 ttp -85.9 -20.6 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.539 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.6 m-85 -101.66 -12.82 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 53.8 mm-40 -63.48 -42.18 71.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.96 -14.53 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.45 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 67.4 m-85 -118.67 31.09 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.23 176.66 14.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.6 m -91.53 140.76 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 91' ' ' PHE . 95.0 mt -100.05 134.09 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -96.38 -43.36 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -137.32 147.29 45.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 t -160.8 138.64 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.2 m -163.08 142.05 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.28 146.99 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 115' ' ' PHE . 25.4 mt -100.87 132.29 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' LYS . 29.5 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' SER . 9.3 mmtp -37.47 -40.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.4 28.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -161.29 153.52 19.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.05 162.48 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 103' ' ' LEU . 18.1 m-85 -108.13 122.86 47.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.6 t -119.21 128.16 75.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -116.27 126.01 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -92.11 166.91 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -72.41 -39.76 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.7 p -135.39 139.36 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 122' ' ' ALA . 19.3 t60 -40.86 -57.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.77 -66.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -46.54 -53.06 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.3 -50.05 12.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -62.23 -47.37 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.95 -50.92 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -53.83 -59.25 4.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 73' ' ' LEU . 63.4 mt -51.86 -52.58 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.8 t30 -35.04 -41.23 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 131' ' ' LEU . 64.1 m -105.86 -67.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.641 HD12 ' HB1' ' A' ' 127' ' ' ALA . 25.7 mt -36.95 -50.84 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.54 ' HB2' HG23 ' A' ' 128' ' ' ILE . 46.5 t60 -41.42 113.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.4 m 52.06 46.08 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t -95.43 -74.77 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -99.95 176.03 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 137' ' ' LEU . 22.6 m -131.55 82.08 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.688 ' CD1' HD23 ' A' ' 78' ' ' LEU . 51.1 mt -36.33 142.71 0.32 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.3 117.2 2.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.0 52.29 5.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.59 109.25 7.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.2 t -31.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 t -100.05 172.76 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.1 m -62.72 -179.81 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.65 97.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.93 97.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.696 HG12 HG12 ' A' ' 128' ' ' ILE . 22.1 t -108.25 113.41 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -149.7 154.12 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -58.42 131.65 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.6 mtt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' ARG . 11.5 ttpt -34.9 137.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.562 HD21 ' HB1' ' A' ' 124' ' ' ALA . 67.9 mt -121.21 143.1 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -101.5 112.09 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.23 149.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.91 178.43 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 61.31 45.89 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 137' ' ' LEU . 46.1 mt -99.77 167.81 10.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.85 156.88 16.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' GLN . 3.9 tppp? -55.34 -53.26 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.2 mp0 -35.78 -65.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.41 HE21 HD22 ' A' ' 137' ' ' LEU . 40.0 mm-40 -50.69 154.3 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.422 HG23 ' HB3' ' A' ' 85' ' ' GLU . 7.1 t -137.19 168.53 19.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' CG ' HG23 ' A' ' 102' ' ' VAL . 2.4 m-20 -47.27 -26.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HB3' HG23 ' A' ' 83' ' ' THR . 20.0 tt0 -72.49 -44.37 62.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.18 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.38 -54.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.17 -66.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -59.48 -20.54 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.7 ttp -83.06 -23.24 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.462 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.1 m-85 -105.24 -4.69 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.5 mt-10 -67.64 -42.23 34.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.94 -14.52 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -118.61 31.26 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.2 171.48 13.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.7 m -91.13 136.7 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 117' ' ' LYS . 57.0 mt -98.83 136.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -95.27 -31.68 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -150.01 164.26 35.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.6 t -171.92 136.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.1 m -153.8 130.34 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.47 HG23 ' CG ' ' A' ' 84' ' ' ASP . 59.8 t -89.08 121.86 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 115' ' ' PHE . 80.1 mt -67.67 137.82 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -53.01 -24.59 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.66 24.29 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -145.72 156.8 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 102' ' ' VAL . . . -160.09 154.12 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 103' ' ' LEU . 42.5 m-85 -101.87 126.8 48.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -116.2 120.65 65.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 97' ' ' ILE . 18.9 ttpp -102.48 112.03 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -85.23 163.94 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.32 -36.42 81.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.7 p -147.78 163.12 37.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 122' ' ' ALA . 24.6 t60 -60.05 -56.77 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.13 -51.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 13.0 mm-40 -62.13 -54.71 37.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.562 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -43.15 -49.58 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.62 84.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -51.06 -55.32 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.467 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -52.75 -68.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.577 HD12 ' CE1' ' A' ' 148' ' ' PHE . 20.0 mt -40.48 -55.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -38.87 -39.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 131' ' ' LEU . 53.8 m -108.13 -69.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.467 HD12 ' HB1' ' A' ' 127' ' ' ALA . 9.6 mt -36.14 -51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 26.9 t60 -39.79 116.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.8 t 45.67 52.03 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 t -99.58 -74.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -99.97 174.66 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.7 m -134.21 87.62 2.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 78' ' ' LEU . 32.9 mt -46.25 142.88 3.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.35 117.23 2.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.39 54.64 3.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.73 110.0 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.5 t -32.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -99.45 -175.35 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.1 m -74.28 179.98 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.77 93.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -70.23 118.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.525 HG12 HG12 ' A' ' 128' ' ' ILE . 9.6 t -130.04 121.73 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -145.47 -179.31 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.577 ' CE1' HD12 ' A' ' 128' ' ' ILE . 67.9 m-85 -84.15 152.41 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.7 p 44.88 41.92 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 t -174.04 138.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.18 -66.13 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.0 t -63.88 -54.84 28.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.0 p -65.55 125.99 26.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.97 78.26 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.1 m -123.69 148.29 46.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -94.26 148.24 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.19 78.14 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -70.61 81.01 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -149.65 111.16 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -49.65 -56.82 8.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -39.42 144.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 128' ' ' ILE . 28.2 mt -134.08 154.42 51.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -109.23 111.48 23.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 91' ' ' PHE . 60.5 t -99.77 144.26 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.35 -171.8 12.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.0 mmt 52.89 42.58 32.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.4 mt -94.63 148.88 21.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.81 155.35 16.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -51.92 -30.13 23.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.31 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -66.49 -47.88 71.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.613 ' HG3' HD13 ' A' ' 137' ' ' LEU . 45.2 mm-40 -72.18 132.13 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 38.6 p -136.75 175.46 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' THR . 0.5 OUTLIER -37.47 -41.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.86 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -59.28 -58.53 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 90' ' ' MET . 21.3 m-20 -58.07 -62.25 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.406 HG13 ' CE1' ' A' ' 91' ' ' PHE . 84.1 t -48.38 -48.51 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -56.6 -59.77 4.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -66.58 -18.03 65.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' ASP . 10.5 ttp -88.91 -24.0 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.439 ' CE2' HG21 ' A' ' 75' ' ' VAL . 4.7 m-85 -100.36 -21.95 15.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.644 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 21.2 mm-40 -58.37 -42.21 93.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.1 Cg_exo -47.94 -15.27 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.425 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.1 m-85 -118.99 31.14 6.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.25 163.18 10.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.2 m -88.14 115.02 25.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' A' ' 92' ' ' GLU . 78.1 mt -80.54 140.83 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -111.23 -43.95 3.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -130.54 123.1 28.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 53.6 t -134.28 117.97 17.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -127.56 131.5 50.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.4 t -100.44 140.3 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 115' ' ' PHE . 89.0 mt -90.82 108.52 19.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -127.19 165.8 18.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.823 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.56 -146.22 20.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.29 -45.6 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' GLY . 4.0 m-20 -83.53 39.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' ASP . . . 36.55 39.69 0.38 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.423 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.7 m -97.47 123.83 41.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 t -58.97 96.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -46.55 -34.32 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.23 33.43 0.96 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.405 ' SG ' HD12 ' A' ' 103' ' ' LEU . 1.8 p -164.49 148.3 9.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.12 143.57 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.515 ' CE2' HD11 ' A' ' 103' ' ' LEU . 75.3 m-85 -97.76 137.71 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 135.69 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -120.7 99.45 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.54 169.48 14.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -66.3 -32.77 74.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 65.0 p -149.95 161.79 41.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 124' ' ' ALA . 8.5 t60 -57.62 -60.3 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.01 -43.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.27 -39.2 78.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 121' ' ' HIS . . . -56.14 -55.17 36.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -55.76 -44.01 77.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -42.13 -59.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.635 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.85 -66.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.841 HD11 HD22 ' A' ' 73' ' ' LEU . 78.2 mt -42.38 -57.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 128' ' ' ILE . 18.1 t-20 -34.46 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 131' ' ' LEU . 75.2 m -108.37 -71.88 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.635 HD12 ' HB1' ' A' ' 127' ' ' ALA . 16.2 mt -34.35 -38.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.487 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.2 t60 -52.07 115.18 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.2 t 47.47 44.39 16.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.5 t -91.71 -75.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -99.55 171.25 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.1 m -122.27 83.61 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.613 HD13 ' HG3' ' A' ' 82' ' ' GLN . 33.8 mt -39.26 148.63 0.27 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.593 0.711 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.8 133.86 13.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 47.97 59.37 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -135.2 112.08 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 7.2 m -32.01 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.8 t -99.57 -176.93 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.5 m -78.26 174.28 11.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.1 tp -54.52 101.51 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 83.4 t -78.81 102.48 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 128' ' ' ILE . 6.6 t -115.67 121.88 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -154.65 143.34 20.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -39.49 149.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -98.45 165.83 11.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -128.22 130.24 47.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 152' ' ' GLU . 19.4 m -110.77 131.86 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 151' ' ' THR . 8.2 mm-40 -36.27 131.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.12 -177.23 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -130.78 88.28 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 88.1 p -109.36 137.66 46.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 163.03 177.72 36.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.58 143.91 5.62 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 t -82.86 -49.01 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 95.1 p -117.89 96.65 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 m -149.0 147.79 28.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.827 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.2 m -131.27 147.01 52.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.19 101.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.6 p -71.62 -44.88 63.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 t 46.01 44.77 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.43 149.84 17.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.7 p -109.98 -50.28 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -118.91 -57.78 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.96 -117.22 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -134.52 107.08 7.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -59.4 176.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -131.42 -48.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -56.11 143.53 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.646 HD22 HD11 ' A' ' 128' ' ' ILE . 86.9 mt -121.92 155.71 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -107.7 112.89 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG21 ' CE2' ' A' ' 91' ' ' PHE . 41.8 t -104.41 140.34 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.04 -171.53 12.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.7 mmt 56.7 33.84 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.0 mt -88.78 161.46 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.06 158.27 16.76 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -51.72 -48.56 63.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -48.26 -52.12 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.26 129.57 40.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASP . 11.8 t -126.06 170.88 11.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' THR . 3.2 m-20 -36.48 -47.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -53.76 -53.85 46.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.89 -70.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' PHE . 85.8 t -41.9 -58.86 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 22.5 ttm180 -48.72 -63.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -57.92 -22.72 50.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.467 ' SD ' ' CZ ' ' A' ' 135' ' ' ARG . 19.3 ttp -87.98 -19.67 26.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 75' ' ' VAL . 3.7 m-85 -103.39 -14.32 16.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.637 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 13.9 mt-10 -64.14 -42.17 66.63 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.633 0.73 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -47.99 -15.13 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 131.02 172.67 13.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 119' ' ' GLN . 13.2 m -95.85 125.56 40.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 117' ' ' LYS . 77.7 mt -86.57 135.79 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.466 ' HB3' ' CE ' ' A' ' 117' ' ' LYS . 3.4 t70 -95.64 -41.77 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.4 ' HG2' ' C ' ' A' ' 98' ' ' ASP . 20.6 mm-40 -145.4 129.62 17.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 28.4 t -133.56 120.32 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.5 m -134.85 134.41 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 114' ' ' ALA . 45.4 t -100.36 139.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.584 HD11 ' CE2' ' A' ' 115' ' ' PHE . 88.2 mt -84.98 139.85 31.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -146.37 166.88 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.48 -179.06 43.87 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.68 -51.62 7.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -63.35 -40.08 96.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 115.45 38.94 0.96 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.7 m -101.89 134.27 45.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.327 . . . . 0.0 111.182 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 t -58.55 88.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -41.9 -29.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.43 37.05 1.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 5.1 p -167.66 154.0 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.492 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -158.09 157.73 33.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 103' ' ' LEU . 74.7 m-85 -105.83 125.03 50.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -118.12 122.74 70.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 97' ' ' ILE . 2.8 ttpp -102.57 129.77 49.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.71 162.87 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.4 tt0 -62.98 -43.39 98.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.8 p -139.9 139.95 36.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 122' ' ' ALA . 7.8 t60 -40.73 -58.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.54 -49.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.46 -53.01 62.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -44.54 -55.83 4.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.063 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.58 -45.33 63.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.55 -42.66 64.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.472 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -62.89 -58.91 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.646 HD11 HD22 ' A' ' 73' ' ' LEU . 68.4 mt -49.64 -57.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 2.6 t30 -37.05 -38.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 52.2 m -101.88 -71.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' ' 146' ' ' VAL . 20.0 mt -38.32 -53.0 1.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.467 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 34.6 t60 -34.64 122.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.9 m 38.45 51.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.1 t -95.38 -74.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.467 ' CZ ' ' SD ' ' A' ' 90' ' ' MET . 15.1 ptp180 -99.26 178.37 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.3 m -132.74 77.2 1.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 136' ' ' THR . 26.8 mt -36.22 143.68 0.28 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.707 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.75 124.36 8.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.18 54.59 12.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.94 111.66 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.7 m -32.38 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.1 m -100.03 -175.06 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.6 m -80.29 160.46 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.7 tp -41.46 112.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.9 t -88.63 97.97 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 131' ' ' LEU . 12.1 t -103.09 127.45 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.3 179.26 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 128' ' ' ILE . 63.0 m-85 -83.32 158.24 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -102.9 170.67 7.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 65.27 32.98 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 151' ' ' THR . 14.7 t -97.19 126.5 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -133.72 142.25 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.22 42.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.95 130.44 39.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.2 m -168.36 123.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -103.03 146.15 16.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.33 117.43 4.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.5 t -99.48 85.73 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.8 m -58.22 122.27 12.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -149.11 152.15 35.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 p -134.73 -48.5 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.814 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.59 -108.41 0.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.1 m -135.94 164.16 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.8 p -96.53 7.04 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.42 -131.09 26.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 p -122.34 -177.49 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.6 mtm-85 -105.19 37.34 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -109.67 104.35 1.87 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -88.24 43.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -110.29 122.24 47.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 82.8 mtm-85 -66.41 -43.99 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 7.7 ttpt -58.18 156.39 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 128' ' ' ILE . 23.2 mt -141.19 131.23 24.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -86.81 121.05 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 93.9 t -113.95 137.29 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.36 179.9 16.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt 62.27 46.69 5.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.333 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.4 mt -102.09 161.69 13.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.31 161.74 13.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -48.14 -47.84 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -51.83 -54.43 29.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.622 ' NE2' HD22 ' A' ' 137' ' ' LEU . 10.0 mp0 -67.68 112.56 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 79.7 p -121.06 176.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -38.89 -42.78 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.19 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.22 -72.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 91' ' ' PHE . 82.8 t -39.09 -41.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 18.4 ttp180 -61.27 -62.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -61.51 -20.67 63.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.0 ttp -85.1 -22.81 28.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -98.54 -14.83 19.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 11.8 mt-10 -60.6 -42.27 87.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -15.0 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -119.02 31.1 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.21 176.5 14.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -93.25 131.1 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 91' ' ' PHE . 89.6 mt -93.07 130.99 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -101.47 -45.5 5.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -128.3 128.85 45.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.2 t -141.38 129.19 21.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 102' ' ' VAL . 72.8 m -145.19 159.15 43.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.514 ' N ' HG22 ' A' ' 101' ' ' THR . 96.6 t -119.45 131.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD21 ' CE2' ' A' ' 115' ' ' PHE . 39.1 mt -82.35 144.48 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -139.35 167.57 21.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -94.59 176.31 35.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.36 -30.98 6.02 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.72 2.28 . . . . 0.0 112.294 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.44 -46.82 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.35 -19.48 5.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 77.6 p -65.21 136.98 57.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.4 p -59.49 110.99 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -58.49 -34.67 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.15 23.49 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 2.3 m -141.39 156.37 45.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.71 162.86 40.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 103' ' ' LEU . 23.9 m-85 -114.17 123.73 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 49.0 t -115.54 137.17 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -121.86 120.85 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -92.2 154.56 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -53.27 -41.57 65.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -136.41 163.9 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.592 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 6.0 t60 -61.22 -55.88 27.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.24 -66.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -48.86 -36.12 16.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . -57.75 -53.81 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -42.5 78.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.8 -63.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.4 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -40.96 -67.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.694 HD11 HD22 ' A' ' 73' ' ' LEU . 80.7 mt -40.9 -57.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' ILE . 19.8 t-20 -35.05 -44.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 98.9 m -102.73 -71.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.635 ' HB3' HG21 ' A' ' 146' ' ' VAL . 9.8 mt -34.52 -53.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 39.7 t60 -35.67 116.95 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 144' ' ' LEU . 2.8 m 39.33 52.89 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.9 t -92.14 -74.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -99.47 175.47 5.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.1 m -129.95 77.0 1.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.622 HD22 ' NE2' ' A' ' 82' ' ' GLN . 74.0 mt -37.63 143.13 0.39 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.71 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.19 117.79 2.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.26 5.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.0 110.31 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 111.075 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.1 m -31.95 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 27.6 p -99.94 -175.56 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -73.18 -179.11 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.4 tp -66.67 97.83 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 75.6 t -72.55 110.76 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.635 HG21 ' HB3' ' A' ' 131' ' ' LEU . 25.1 t -123.07 130.78 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -158.78 -179.26 7.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -74.93 151.84 38.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.423 ' CB ' ' HE2' ' A' ' 72' ' ' LYS . . . -85.14 163.66 18.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -125.84 93.41 3.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 77.4 p -144.91 112.79 6.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.188 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -81.05 122.09 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -83.02 -61.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -83.11 149.85 26.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 29.8 t -97.44 -52.86 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 131.73 71.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.98 -30.54 4.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.4 m -115.93 174.71 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.5 m -92.3 158.0 16.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -152.22 123.74 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -143.02 163.92 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.95 160.83 9.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.0 p -136.91 176.01 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.825 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.0 p -131.34 101.83 5.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -104.19 124.54 8.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -108.0 104.06 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -117.13 101.58 8.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.83 -64.59 0.44 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 61.64 43.1 10.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.58 116.33 28.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.7 mtm-85 -65.51 -60.88 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' O ' HD23 ' A' ' 73' ' ' LEU . 16.4 ttpp -47.31 142.61 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.936 HD22 HD11 ' A' ' 128' ' ' ILE . 58.0 mt -129.84 127.69 40.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -79.55 122.42 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -114.27 143.39 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.08 14.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.4 mmt 61.39 34.13 18.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.4 mt -90.51 150.95 21.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.29 146.4 18.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -39.51 -40.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.6 -49.67 61.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.536 ' HG2' HD13 ' A' ' 137' ' ' LEU . 7.6 mp0 -73.83 134.49 43.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.0 t -125.52 -179.64 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.13 -43.19 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.52 -36.47 76.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -70.56 -65.49 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.7 t -47.34 -46.88 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 28.8 ttt180 -56.88 -64.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.19 -20.04 62.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.6 ttp -84.96 -22.26 29.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.5 m-85 -100.12 -15.92 18.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 23.3 mt-10 -58.99 -42.17 92.45 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.588 0.708 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.7 Cg_exo -48.01 -15.08 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.674 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 59.8 m-85 -118.98 31.13 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.67 175.77 14.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 119' ' ' GLN . 56.4 m -95.47 118.14 31.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.784 0.326 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 91' ' ' PHE . 81.1 mt -78.01 125.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -87.46 -49.02 7.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -135.5 127.58 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 36.5 t -126.32 109.93 12.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -120.28 141.52 49.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 114' ' ' ALA . 80.2 t -118.22 137.23 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.741 HD12 ' SG ' ' A' ' 113' ' ' CYS . 58.7 mt -86.6 115.99 24.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -132.39 169.88 15.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.97 -150.73 5.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.43 136.71 11.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.9 t70 61.37 31.27 19.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 44.88 43.26 8.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -86.89 117.71 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.2 t -61.31 101.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.73 -28.23 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.08 32.91 2.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 103' ' ' LEU . 28.3 p -161.66 152.47 17.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.413 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -162.42 153.55 17.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 103' ' ' LEU . 51.3 m-85 -104.86 133.23 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.27 129.85 75.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -113.2 125.83 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -93.73 166.38 12.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 96' ' ' THR . 5.6 tt0 -61.76 -37.5 84.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.0 p -142.53 139.37 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.447 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 12.8 t60 -38.65 -53.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -40.73 -68.14 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 42.5 mt-10 -36.37 -50.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -47.97 -61.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.63 -40.86 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -55.79 -57.06 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.674 ' HB2' ' HB2' ' A' ' 94' ' ' PHE . . . -58.45 -53.77 54.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.936 HD11 HD22 ' A' ' 73' ' ' LEU . 64.4 mt -47.36 -58.4 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -41.41 -35.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 131' ' ' LEU . 89.4 m -101.67 -73.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.639 HD13 ' CE1' ' A' ' 91' ' ' PHE . 12.4 mt -34.97 -37.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.493 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.7 t60 -56.49 118.93 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 m 44.89 48.08 9.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t -96.34 -70.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 135' ' ' ARG . 4.7 ptp180 -100.03 174.68 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.5 m -132.58 75.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.536 HD13 ' HG2' ' A' ' 82' ' ' GLN . 28.4 mt -37.96 141.99 0.47 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.87 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -48.11 128.96 17.75 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 71.45 43.04 54.77 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -132.82 109.89 9.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 111.123 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.477 ' C ' ' O ' ' A' ' 140' ' ' ALA . 11.9 p -31.89 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.3 t -100.2 -174.94 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.5 p -80.09 153.05 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 143' ' ' SER . 9.9 tp -35.22 115.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.44 104.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 131' ' ' LEU . 81.4 t -117.93 123.65 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -156.03 165.63 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -63.34 140.21 58.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -97.28 128.64 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -91.11 115.41 28.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 13.0 t -61.15 159.96 11.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -100.6 132.49 45.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.59 -50.82 4.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 155' ' ' SER . 9.8 mm-40 -147.91 174.77 11.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 154' ' ' GLU . 43.1 t -37.26 149.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -75.83 -92.68 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.09 93.1 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.7 t -63.56 83.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.4 t -47.0 -56.75 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.4 m -144.15 175.69 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 t -129.35 -58.14 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -136.73 50.14 0.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -128.76 126.54 40.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.1 m -59.66 -59.81 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.06 -153.41 29.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.0 p -81.63 172.91 12.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -79.73 160.65 26.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 -140.95 47.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.552 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -156.56 114.35 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -121.19 116.8 25.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 121' ' ' HIS . 16.5 mmt85 -76.97 -61.55 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 115' ' ' PHE . 43.0 tttt -47.69 139.38 7.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.844 HD22 HD11 ' A' ' 128' ' ' ILE . 32.3 mt -127.43 158.85 36.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -115.24 128.8 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.472 HG13 HG22 ' A' ' 146' ' ' VAL . 17.1 t -119.95 148.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.15 -162.32 9.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.6 mmt 45.31 32.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 144' ' ' LEU . 57.3 mt -86.94 162.55 17.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.74 155.53 16.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -50.87 -46.47 60.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.291 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -47.07 -55.69 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.432 ' HG3' HD22 ' A' ' 137' ' ' LEU . 36.3 mm-40 -67.39 141.85 56.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.6 p -136.68 175.81 9.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.617 ' CG ' HG23 ' A' ' 102' ' ' VAL . 0.7 OUTLIER -42.57 -39.77 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -57.16 -62.21 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -53.73 -53.84 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.52 -53.24 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.625 ' HA ' HD13 ' A' ' 97' ' ' ILE . 45.5 ttt180 -55.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -58.97 -22.08 59.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttp -85.18 -21.22 29.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.615 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.5 m-85 -104.73 -6.87 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.4 mt-10 -68.2 -42.16 28.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -48.0 -15.2 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.48 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.8 m-85 -119.01 31.1 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.17 170.89 12.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.0 m -91.1 123.08 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 88' ' ' ARG . 70.3 mt -88.22 123.39 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' OD2' ' NE2' ' A' ' 119' ' ' GLN . 6.5 m-20 -94.68 -46.17 7.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -125.6 124.71 41.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.0 t -141.09 121.63 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.2 m -143.6 145.24 32.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.617 HG23 ' CG ' ' A' ' 84' ' ' ASP . 73.5 t -103.19 151.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.45 HD11 ' CE2' ' A' ' 115' ' ' PHE . 43.3 mt -103.22 129.57 50.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -134.93 -175.67 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -91.93 -148.57 22.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.03 -49.01 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.24 -45.89 58.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 138.5 33.78 0.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.0 p -90.01 134.6 34.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.837 0.351 . . . . 0.0 111.099 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.6 t -67.98 92.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -44.91 -39.35 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.62 30.87 1.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 26.3 p -161.92 152.0 16.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -154.32 162.04 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.517 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 30.1 m-85 -106.41 136.29 46.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.0 t -128.4 126.71 66.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -112.33 137.49 50.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -107.08 170.01 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.469 ' NE2' ' OD2' ' A' ' 98' ' ' ASP . 6.7 tp-100 -70.34 -41.29 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 121' ' ' HIS . 70.8 p -135.84 137.68 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.533 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 9.6 t60 -37.23 -57.75 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -42.61 -67.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -38.15 -41.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 121' ' ' HIS . . . -57.28 -62.22 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 126' ' ' ALA . 4.8 tp-100 -41.17 -55.9 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 125' ' ' GLN . . . -36.16 -62.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.519 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -47.47 -67.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.844 HD11 HD22 ' A' ' 73' ' ' LEU . 19.6 mt -38.97 -59.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' ILE . 53.1 t-20 -36.39 -38.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' HIS . 99.0 m -105.7 -72.29 0.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.519 HD12 ' HB1' ' A' ' 127' ' ' ALA . 14.9 mt -34.24 -35.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.482 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 62.0 t60 -53.37 110.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.8 p 52.75 30.2 8.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.4 p -70.46 -74.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -99.95 171.61 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.9 m -124.31 80.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.432 HD22 ' HG3' ' A' ' 82' ' ' GLN . 82.6 mt -36.3 143.93 0.28 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.3 128.41 14.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 62.11 56.48 22.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.99 110.14 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 111.112 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.475 ' C ' ' O ' ' A' ' 140' ' ' ALA . 31.1 t -31.94 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.0 m -98.09 -179.07 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 69.8 m -75.01 176.93 6.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.498 HD11 HD21 ' A' ' 78' ' ' LEU . 17.7 tp -61.82 89.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.84 122.09 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 144' ' ' LEU . 5.9 t -134.67 136.73 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -165.96 145.16 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -40.02 158.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -123.57 91.74 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -95.96 133.58 40.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 86.2 m -121.61 -46.38 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -146.19 120.79 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -51.88 128.03 22.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -86.56 118.26 25.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 31.1 t -132.85 118.23 18.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -44.63 144.49 2.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.86 147.6 4.64 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.308 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.4 t -95.72 156.22 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 93.2 p -92.68 -46.35 7.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.5 m -88.12 148.53 24.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 t -60.47 -60.29 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.36 135.56 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.2 m -65.95 -43.97 86.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 t -107.34 117.74 34.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.62 -125.63 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 t -118.77 78.98 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.813 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -86.77 147.13 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.62 113.07 0.57 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -119.65 92.5 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER 62.06 39.51 13.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' ASP . 15.7 mtt85 -35.3 -44.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -40.33 136.63 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.43 HD21 ' HB1' ' A' ' 124' ' ' ALA . 18.9 mt -125.18 144.3 50.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -100.87 115.33 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.39 135.51 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.51 175.19 17.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.5 mmt 62.51 46.9 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 144' ' ' LEU . 94.1 mt -101.17 158.53 15.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.02 156.51 16.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -44.77 -42.26 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.698 0.285 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -50.87 -54.84 20.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 mp0 -73.69 122.55 22.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' GLU . 64.1 p -127.82 174.57 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 34.3 t0 -36.88 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' THR . 2.5 tp10 -72.7 -61.16 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -54.54 -50.82 66.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -55.33 -39.8 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' O ' HD12 ' A' ' 97' ' ' ILE . 32.5 ttt180 -69.95 -55.08 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -66.42 -20.07 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttp -87.77 -20.54 26.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.707 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.6 m-85 -102.47 -15.17 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.5 mm-40 -62.86 -42.19 76.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.3 Cg_exo -48.01 -15.06 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.495 ' HE2' HD21 ' A' ' 131' ' ' LEU . 62.3 m-85 -119.11 31.18 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.24 176.79 14.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 99.7 m -93.32 128.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.707 HD11 ' HB2' ' A' ' 91' ' ' PHE . 75.6 mt -95.01 117.92 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.19 -49.23 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -127.26 148.01 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.0 t -162.63 138.25 7.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 102' ' ' VAL . 93.3 m -155.91 153.1 29.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' N ' HG22 ' A' ' 101' ' ' THR . 47.3 t -115.45 128.99 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 115' ' ' PHE . 40.5 mt -76.05 122.14 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -131.07 173.63 10.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.26 -154.29 17.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.75 5.32 4.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -123.06 27.47 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 39.71 32.15 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 62.1 m -105.37 125.05 50.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.7 p -59.06 93.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -38.87 -33.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 126.36 19.06 2.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.66 140.52 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -145.87 150.41 36.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 103' ' ' LEU . 44.3 m-85 -101.07 136.73 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.27 131.24 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 97' ' ' ILE . 46.7 tttp -115.18 118.48 33.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -89.04 162.35 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -66.53 -36.34 82.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 64.1 p -142.43 147.96 37.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -50.76 -50.31 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.55 -56.42 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.17 -50.39 67.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.43 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -46.9 -51.61 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 125' ' ' GLN . 6.4 tp60 -55.94 -41.28 74.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.23 -57.63 9.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.686 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -51.31 -63.71 1.04 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.6 mt -42.76 -61.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 128' ' ' ILE . 59.7 t-20 -34.96 -44.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 131' ' ' LEU . 93.1 m -100.51 -72.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.686 HD12 ' HB1' ' A' ' 127' ' ' ALA . 15.2 mt -35.2 -53.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.496 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.3 t60 -35.61 126.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 144' ' ' LEU . 44.4 t 34.59 53.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.4 t -95.86 -74.68 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 143' ' ' SER . 5.5 ptp85 -99.9 179.35 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.3 m -134.32 79.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.2 mt -39.38 142.26 0.61 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.7 126.16 12.18 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 73.96 43.78 32.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.57 109.43 8.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.0 m -32.06 -75.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 t -100.1 -175.0 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 135' ' ' ARG . 3.2 p -83.08 160.07 21.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 133' ' ' SER . 15.0 tp -39.55 122.05 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.85 96.77 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.48 121.78 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -148.46 169.57 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -67.78 140.33 56.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -90.61 113.25 25.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.8 p30 -116.42 148.1 41.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.0 t -99.89 129.82 46.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -91.46 115.47 28.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -92.91 -39.52 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -127.28 157.37 40.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.6 t -97.37 -52.59 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 164.96 157.29 9.57 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.06 -27.37 6.88 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.686 2.258 . . . . 0.0 112.3 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.8 m -150.71 141.06 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.4 p -97.78 42.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -72.13 -45.33 60.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 t -113.92 129.99 56.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.82 65.16 3.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.1 m -62.02 119.99 9.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.0 m -92.04 104.69 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -108.08 108.25 2.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 m -154.1 165.36 36.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -93.69 -61.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.71 81.53 1.11 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -123.57 115.21 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.63 145.71 51.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -90.18 -49.66 6.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -48.43 126.6 11.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 128' ' ' ILE . 81.4 mt -108.58 147.84 31.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -100.22 107.57 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.5 t -95.11 146.43 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.57 -171.51 12.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.96 39.01 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -94.68 158.81 15.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.9 153.66 16.76 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.473 ' HZ2' ' HA ' ' A' ' 109' ' ' THR . 21.4 mtpp -50.18 -41.98 50.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -43.77 -50.46 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -67.41 151.06 48.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 p -134.71 158.71 43.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -40.18 -30.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.75 -50.82 47.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' VAL . 59.2 m-20 -52.85 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' ASP . 95.8 t -38.11 -48.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -53.65 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -64.56 -17.68 64.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.417 ' SD ' ' NH1' ' A' ' 135' ' ' ARG . 26.2 ttp -86.04 -24.21 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.632 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -102.8 -13.63 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 18.0 mm-40 -61.64 -42.25 82.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.685 0.755 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.2 Cg_exo -47.94 -15.16 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.462 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 60.9 m-85 -118.98 31.12 6.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.92 173.05 13.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.5 m -93.1 123.66 36.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 111.153 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 91' ' ' PHE . 68.0 mt -91.27 124.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.34 -36.39 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 100' ' ' CYS . 5.3 tm-20 -137.12 145.68 44.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 99' ' ' GLU . 53.5 t -153.0 131.14 11.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.5 m -154.28 145.03 22.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 114' ' ' ALA . 86.7 t -107.86 144.67 16.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.614 HD11 ' CE2' ' A' ' 115' ' ' PHE . 53.2 mt -94.01 124.16 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -131.41 173.89 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -87.72 164.42 34.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -45.51 -27.72 3.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -84.33 -48.4 9.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.63 -22.32 2.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.473 ' HA ' ' HZ2' ' A' ' 80' ' ' LYS . 56.3 m -55.2 111.19 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.17 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m -50.52 116.65 2.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -62.91 -36.79 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.29 41.85 0.62 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.7 p -163.87 150.93 12.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB2' HG22 ' A' ' 102' ' ' VAL . . . -156.28 153.38 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.614 ' CE2' HD11 ' A' ' 103' ' ' LEU . 61.5 m-85 -102.17 125.65 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.445 HG11 ' CD2' ' A' ' 91' ' ' PHE . 72.1 t -115.86 109.33 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' ' 97' ' ' ILE . 8.9 ttmm -91.24 122.69 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.452 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 11.4 m-85 -95.65 167.59 11.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -67.99 -34.1 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 71.8 p -149.12 162.01 40.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -55.71 -44.89 77.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.16 -71.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -42.27 -50.23 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.452 ' HA ' ' CD2' ' A' ' 118' ' ' PHE . . . -48.55 -44.95 36.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.02 -40.39 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 127' ' ' ALA . . . -49.26 -69.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.48 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -36.29 -63.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.501 HD11 HD22 ' A' ' 73' ' ' LEU . 57.2 mt -39.89 -63.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' ILE . 12.9 t-20 -35.79 -44.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 131' ' ' LEU . 48.2 m -96.52 -74.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.48 HD12 ' HB1' ' A' ' 127' ' ' ALA . 10.5 mt -34.9 -59.01 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 42.7 t60 -37.51 117.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t 50.9 45.61 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 19.6 t -95.94 -75.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.417 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 9.2 ptm180 -100.04 177.51 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.2 m -132.69 85.13 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.65 152.57 0.89 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.6 126.14 11.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.614 2.209 . . . . 0.0 112.374 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.06 18.23 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.91 112.03 17.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.6 t -32.39 -76.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.3 m -95.65 -174.98 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 10.2 m -72.83 -175.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.0 tp -70.92 125.72 27.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.25 111.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 t -119.67 109.1 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.44 141.89 35.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -44.65 132.24 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -73.87 167.93 20.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -103.11 136.64 42.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 85.9 m -132.84 -51.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -54.21 94.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -100.47 150.81 22.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -174.98 135.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 36.5 p -41.51 154.17 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 71.1 96.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.69 92.22 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.292 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.6 m -140.16 111.87 7.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 80.1 p -111.93 127.17 55.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.3 m -159.81 174.35 14.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' GLY . 68.8 m -99.81 102.73 14.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 38.2 -147.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.5 p -78.26 118.68 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.3 p -81.7 -39.52 24.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.43 155.66 9.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.523 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 t -119.83 -46.07 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -55.75 133.79 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.01 133.33 1.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -102.79 -14.98 16.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -62.81 137.9 58.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt85 -119.53 43.97 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -127.49 138.57 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.696 HD22 HD11 ' A' ' 128' ' ' ILE . 64.2 mt -120.99 132.66 55.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -88.75 110.1 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.419 ' CG1' HD11 ' A' ' 144' ' ' LEU . 47.4 t -98.0 141.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.457 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -139.17 179.34 18.74 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.521 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 60.26 50.17 6.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.342 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.5 mt -104.79 146.35 29.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.944 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.91 149.37 19.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.431 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -59.24 -18.98 41.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -73.56 -42.96 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -69.77 153.18 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -136.97 174.95 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -45.59 -52.56 10.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -46.4 -53.07 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.22 -69.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.6 t -43.01 -59.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.46 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 8.9 ttm180 -51.49 -55.74 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -61.53 -23.19 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.7 ttp -86.01 -20.46 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.482 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.4 m-85 -99.94 -19.29 16.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 6.9 mm-40 -57.65 -42.48 95.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.96 -14.86 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.408 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 69.4 m-85 -118.81 31.17 6.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.74 176.39 14.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.4 m -92.54 139.1 30.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.69 0.281 . . . . 0.0 111.176 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.482 HD11 ' HB2' ' A' ' 91' ' ' PHE . 97.0 mt -99.97 120.66 49.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.63 -39.61 14.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -136.74 140.64 42.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 45.4 t -152.96 118.54 5.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 31.4 m -135.64 144.91 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.66 136.3 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 115' ' ' PHE . 25.3 mt -92.93 130.22 38.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -141.91 -178.85 5.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.73 -149.25 5.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.425 ' O ' HG23 ' A' ' 109' ' ' THR . 71.2 Cg_exo -45.54 147.05 3.02 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 50.14 33.1 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.31 34.61 26.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 106' ' ' PRO . 46.4 p -75.48 114.82 14.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 111.146 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 t -62.61 109.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -56.52 -25.78 52.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.01 30.93 6.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 9.0 p -153.84 138.49 16.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -144.09 151.07 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 103' ' ' LEU . 42.0 m-85 -104.08 116.55 32.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.8 t -107.05 137.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -119.13 131.1 55.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -101.65 158.46 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.06 -40.17 92.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.3 p -138.81 146.14 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -50.69 -46.48 58.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -41.14 -53.04 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.51 -49.75 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.651 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -45.56 -45.92 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -52.13 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.33 -57.04 4.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.577 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -47.07 -65.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.696 HD11 HD22 ' A' ' 73' ' ' LEU . 54.2 mt -44.12 -55.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 128' ' ' ILE . 14.3 t-20 -34.98 -40.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 131' ' ' LEU . 70.6 m -109.63 -68.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.577 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.0 mt -35.81 -48.51 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.564 ' HB2' HG23 ' A' ' 128' ' ' ILE . 37.2 t60 -54.03 108.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t 64.11 47.48 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 92.3 p -99.87 -74.38 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -100.02 159.99 14.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 42.1 m -120.71 75.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 136' ' ' THR . 75.7 mt -35.12 152.92 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.588 0.709 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.86 121.01 7.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 33.19 9.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.07 115.09 11.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.731 0.3 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 140' ' ' ALA . 63.2 m -32.39 -76.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 37.2 m -100.08 -177.38 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 144' ' ' LEU . 1.3 t -76.19 174.91 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 76' ' ' GLY . 28.8 tp -54.57 108.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 70.9 t -79.47 100.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.432 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 11.1 t -115.1 108.01 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -144.9 144.33 31.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -38.93 145.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.77 120.41 20.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -93.7 133.98 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 88.2 m -143.42 141.46 30.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -139.01 148.85 43.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.21 140.21 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -59.58 122.97 15.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 92.8 p -97.66 173.34 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 148.46 88.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.07 105.44 2.07 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.9 p -130.71 142.12 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 46.2 m -101.68 -49.26 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 m -48.09 127.3 12.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.9 m -133.73 174.63 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.89 171.41 46.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.2 m -118.53 -55.55 2.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.2 t -70.86 138.16 50.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -118.51 -138.89 5.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.4 p -96.96 122.42 39.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -99.56 122.91 43.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.39 81.14 0.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -51.51 -48.92 62.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -45.23 148.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -86.97 -55.58 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.562 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 19.6 ttpt -40.51 141.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 128' ' ' ILE . 45.8 mt -125.56 146.45 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -99.16 119.39 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.442 HG22 HG13 ' A' ' 146' ' ' VAL . 21.7 t -110.79 138.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.37 -173.97 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG3' HG23 ' A' ' 145' ' ' VAL . 13.0 mmt 59.44 33.86 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.6 mt -91.13 157.84 16.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.16 155.66 16.83 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -48.26 -40.84 26.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.708 0.289 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -50.68 -54.37 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.762 ' HG3' HD13 ' A' ' 137' ' ' LEU . 32.5 mm-40 -72.9 142.23 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 84' ' ' ASP . 42.6 p -139.81 169.8 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 83' ' ' THR . 5.0 t70 -36.56 -37.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.99 -56.57 20.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 90' ' ' MET . 5.9 m-20 -59.26 -55.92 28.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.37 -54.76 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -52.51 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -61.41 -19.93 62.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.478 ' CB ' ' O ' ' A' ' 86' ' ' ASP . 21.1 ttp -85.35 -22.14 28.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 131' ' ' LEU . 3.1 m-85 -100.38 -15.74 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 19.2 mt-10 -59.73 -42.2 90.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.638 0.732 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.6 Cg_exo -47.94 -14.68 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.558 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 60.5 m-85 -118.6 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 128.1 165.8 11.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 97.6 m -83.36 131.24 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' A' ' 91' ' ' PHE . 81.3 mt -94.77 132.87 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -101.86 -44.18 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -132.54 133.54 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 38.8 t -148.38 116.41 6.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.2 m -134.97 135.7 41.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.18 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.487 HG22 ' CB ' ' A' ' 114' ' ' ALA . 97.7 t -98.99 149.52 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.31 119.71 33.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -122.33 172.79 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.86 -149.41 23.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.09 -39.25 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.366 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.08 -47.66 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 129.64 42.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.6 m -109.65 139.32 44.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -65.31 97.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -50.61 -25.8 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.67 33.11 1.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.425 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 3.3 p -165.3 147.98 7.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.487 ' CB ' HG22 ' A' ' 102' ' ' VAL . . . -155.35 157.11 36.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CD1' ' HE3' ' A' ' 72' ' ' LYS . 48.3 m-85 -105.03 130.38 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 65.0 t -119.39 135.52 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -119.18 128.3 54.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 25.5 m-85 -98.1 164.7 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -69.85 -25.2 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.8 p -148.71 155.68 41.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -59.31 -56.63 19.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -40.18 -55.46 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 34.8 mm-40 -50.53 -57.65 7.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -40.73 -61.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.35 -51.19 4.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -40.25 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -40.83 -61.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.734 HD11 HD22 ' A' ' 73' ' ' LEU . 96.5 mt -47.49 -45.63 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -47.48 -39.09 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 131' ' ' LEU . 54.5 m -108.28 -66.0 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 127' ' ' ALA . 11.7 mt -35.13 -43.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.472 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 33.4 t60 -47.07 121.12 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 132' ' ' HIS . 21.9 t 36.87 53.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -99.95 -69.7 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -99.68 172.52 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -127.46 81.17 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.762 HD13 ' HG3' ' A' ' 82' ' ' GLN . 88.4 mt -41.16 143.44 0.77 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -46.89 123.39 7.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 69.92 53.52 14.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.98 111.58 7.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 111.064 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 140' ' ' ALA . 18.9 m -32.4 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.5 m -100.03 -175.33 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.9 m -73.06 176.85 5.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 28.1 tp -65.07 103.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 77' ' ' MET . 85.0 t -78.58 115.54 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 131' ' ' LEU . 3.5 t -123.99 132.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -156.64 -179.3 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -78.55 149.73 32.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.57 79.34 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -72.07 149.26 45.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 17.8 p -131.26 117.98 19.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -65.05 141.75 58.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.75 159.03 24.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 154' ' ' GLU . 1.5 pm0 -117.92 131.1 56.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 2.2 t -163.59 154.32 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.74 144.27 48.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -78.84 87.39 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.282 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 159' ' ' SER . 10.5 m -92.1 92.46 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 158' ' ' SER . 18.2 t -35.74 -56.3 0.69 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -166.81 155.35 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 t -154.76 130.21 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -108.09 -153.68 17.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.9 p -150.94 140.24 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.3 p -154.12 165.27 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -178.52 70.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t -73.53 146.89 44.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -155.66 133.86 11.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.61 145.98 16.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -96.37 -63.96 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -95.94 139.12 32.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' LYS . 39.7 mtt85 -98.89 -49.65 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.528 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 27.6 ttmt -35.76 138.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.66 HD22 HD11 ' A' ' 128' ' ' ILE . 17.9 mt -118.32 141.43 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -95.56 113.05 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 44.6 t -108.18 129.6 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -120.59 -171.02 14.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.6 mmt 52.83 42.21 31.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 mt -96.6 150.71 20.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.79 149.03 17.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -40.85 -43.12 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.713 0.292 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -48.64 -56.18 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -66.19 122.08 16.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' ASP . 68.0 p -121.22 166.69 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -38.92 -28.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 83' ' ' THR . 5.6 tp10 -73.98 -43.42 58.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' THR . 39.1 m-20 -65.33 -60.83 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' PHE . 55.5 t -46.33 -55.71 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 14.9 ttt180 -51.39 -63.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -59.32 -21.75 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.6 ttp -88.79 -19.01 26.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 87' ' ' VAL . 3.6 m-85 -103.28 -17.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.4 mt-10 -62.58 -42.21 77.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.96 -15.3 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.474 ' HE2' HD21 ' A' ' 131' ' ' LEU . 63.9 m-85 -119.03 31.1 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.55 170.41 12.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 23.3 m -91.84 126.89 37.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 111.153 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 117' ' ' LYS . 55.8 mt -91.34 126.16 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.42 -30.92 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -141.12 138.8 33.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.0 t -148.18 128.11 13.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.2 m -155.69 141.72 18.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.48 150.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.183 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 115' ' ' PHE . 48.0 mt -99.6 119.58 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -112.83 -178.71 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -109.93 -165.22 19.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -47.1 -62.92 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.04 -45.55 92.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 126.87 16.78 2.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.7 p -82.59 142.72 31.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.823 0.344 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.0 t -54.8 98.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -46.14 -32.37 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.13 16.05 5.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 p -151.39 150.49 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.46 163.3 37.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.528 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.1 m-85 -112.7 131.53 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.6 t -124.39 118.79 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 97' ' ' ILE . 20.5 ttmt -103.89 128.98 51.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -99.8 158.99 15.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.71 -31.72 72.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 46.4 p -140.59 158.74 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -65.78 -43.78 87.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.41 -43.42 44.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.25 -49.92 57.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.576 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -49.05 -42.6 39.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -69.57 -39.2 77.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.43 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.528 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -54.12 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.66 HD11 HD22 ' A' ' 73' ' ' LEU . 61.3 mt -44.34 -55.46 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 128' ' ' ILE . 57.9 t-20 -34.95 -40.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 131' ' ' LEU . 94.3 m -107.57 -69.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.528 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.7 mt -35.54 -45.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.479 ' HB2' HG23 ' A' ' 128' ' ' ILE . 69.3 t60 -50.31 119.85 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.4 p 47.3 47.41 16.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.9 t -96.46 -75.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 135' ' ' ARG . 4.8 ptp180 -98.81 168.9 9.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.1 m -126.77 80.25 1.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.6 152.27 0.54 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.25 130.51 17.63 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.02 17.52 53.41 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.492 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -125.61 112.08 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.9 m -32.4 -76.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.3 m -95.1 -175.43 3.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.0 m -70.05 -178.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 76' ' ' GLY . 28.9 tp -72.98 113.48 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.1 t -84.1 110.59 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 19.1 t -117.41 119.22 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -146.78 -177.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -78.25 156.2 29.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 150' ' ' ASP . . . -75.5 159.0 31.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 149' ' ' ALA . 1.3 m-20 35.45 51.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 62.3 m -64.49 117.58 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -51.2 -44.54 61.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -67.92 112.32 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -104.89 160.0 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 10.9 t -45.16 130.41 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -104.4 142.12 15.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.54 125.62 9.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.7 m -132.51 154.11 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 88.3 p -154.78 134.13 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.8 p -126.35 148.09 49.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -123.52 113.24 18.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.25 163.71 11.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.6 t -115.33 125.34 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 t -156.12 133.54 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.73 -146.22 13.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.5 m -107.15 98.33 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -87.35 156.13 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' O ' ' ND1' ' A' ' 121' ' ' HIS . . . -156.29 87.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . 81.9 mt-10 -46.42 -53.66 10.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' GLU . 47.5 m-20 -34.51 135.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -101.39 -43.92 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HE3' ' CD1' ' A' ' 115' ' ' PHE . 8.3 ttpt -47.75 136.79 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.755 HD22 HD11 ' A' ' 128' ' ' ILE . 79.8 mt -124.23 134.54 53.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -90.68 121.35 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.498 HG22 HG13 ' A' ' 146' ' ' VAL . 39.0 t -112.51 133.24 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.15 -177.66 14.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 mmt 59.82 32.78 21.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 137' ' ' LEU . 83.5 mt -86.98 165.72 15.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -118.14 148.51 18.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.52 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -53.48 -46.01 69.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -43.74 -50.7 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.652 HE21 HD13 ' A' ' 137' ' ' LEU . 1.2 mp0 -60.09 156.21 15.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.415 ' C ' ' N ' ' A' ' 85' ' ' GLU . 30.2 p -135.16 156.54 48.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.637 ' CG ' HG23 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -41.51 -25.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 83' ' ' THR . 12.9 mt-10 -73.5 -50.93 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -50.21 -69.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG13 ' CE1' ' A' ' 91' ' ' PHE . 99.2 t -38.77 -50.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.475 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 61.2 ttt-85 -50.65 -66.31 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -59.78 -20.31 55.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttp -85.42 -21.62 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.427 ' C ' ' HD2' ' A' ' 93' ' ' PRO . 3.9 m-85 -104.56 -16.89 14.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.9 mt-10 -58.31 -42.2 93.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.5 Cg_exo -48.02 -14.94 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.433 ' HE2' HD21 ' A' ' 131' ' ' LEU . 65.8 m-85 -118.81 30.97 6.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.96 154.78 8.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.9 m -72.55 135.47 45.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.176 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 59.3 mt -98.27 117.32 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.424 ' OD1' ' NE2' ' A' ' 119' ' ' GLN . 12.1 m-20 -76.23 -50.69 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -130.69 149.3 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.9 t -155.69 116.46 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -136.67 135.09 37.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 84' ' ' ASP . 74.7 t -96.14 147.41 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.524 HD11 ' CE2' ' A' ' 115' ' ' PHE . 90.1 mt -95.22 129.24 42.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -133.43 -176.47 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.22 -173.67 15.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.53 -47.03 13.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.319 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 109' ' ' THR . 23.9 t0 -86.08 40.1 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 107' ' ' ASP . . . 36.4 31.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' ASP . 23.8 m -88.38 139.67 30.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.0 t -69.02 96.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -48.43 -28.01 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.38 33.18 2.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.529 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.38 150.3 12.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.878 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.21 165.58 30.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.524 ' CE2' HD11 ' A' ' 103' ' ' LEU . 20.9 m-85 -116.16 124.92 51.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.7 t -114.66 121.4 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -105.73 108.86 20.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -78.7 165.44 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.424 ' NE2' ' OD1' ' A' ' 98' ' ' ASP . 6.1 tp-100 -73.97 -28.77 61.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 80.3 p -145.7 155.13 42.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 68' ' ' GLY . 10.6 t60 -57.71 -57.24 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -39.55 -56.57 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -54.5 -43.33 71.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -56.46 -40.7 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -67.54 -39.72 85.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.46 -55.22 27.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.505 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -51.46 -65.13 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.755 HD11 HD22 ' A' ' 73' ' ' LEU . 74.3 mt -46.02 -58.89 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 41.4 t30 -35.24 -38.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' LEU . 71.9 m -107.2 -70.26 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.505 HD12 ' HB1' ' A' ' 127' ' ' ALA . 13.5 mt -36.86 -41.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.1 t60 -50.41 123.75 9.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 t 41.08 51.48 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 78.0 p -99.86 -74.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -98.9 -177.27 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 6.9 m -139.23 105.92 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.652 HD13 HE21 ' A' ' 82' ' ' GLN . 42.2 mt -71.09 143.5 88.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.585 0.707 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.12 121.64 5.44 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.737 2.292 . . . . 0.0 112.345 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.34 42.9 11.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.03 108.07 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.094 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 36.5 m -31.42 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.4 p -99.54 -175.07 2.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 144' ' ' LEU . 5.9 m -77.9 156.43 30.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 143' ' ' SER . 11.9 tp -35.02 106.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.21 104.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.498 HG13 HG22 ' A' ' 75' ' ' VAL . 2.9 t -117.25 126.23 74.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -156.84 153.82 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -50.0 142.36 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.57 154.98 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -100.94 112.95 25.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 152' ' ' GLU . 5.2 t -116.78 172.22 7.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 151' ' ' THR . 43.4 mt-10 34.62 42.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -1.19 50.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.99 130.2 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 20.4 t -168.85 123.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -161.71 143.42 8.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.31 36.02 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.3 m -146.56 157.35 43.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 32.6 t -139.8 138.28 35.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.53 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -164.67 166.64 19.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 p -115.81 169.47 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -44.5 106.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.4 p -113.46 149.44 34.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.898 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.2 t -58.05 -62.99 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.6 -143.49 17.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -108.4 165.12 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -170.85 174.89 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.06 160.75 11.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -84.01 94.36 8.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -162.8 111.83 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' NE ' ' HE3' ' A' ' 117' ' ' LYS . 5.2 ptt180 -76.58 -46.85 24.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.0 ttpt -36.56 142.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.952 HD21 ' HB1' ' A' ' 124' ' ' ALA . 18.9 mt -128.01 149.78 50.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -105.13 113.63 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 t -103.25 139.62 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.87 -176.15 14.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.6 mmt 56.04 45.14 24.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.4 mt -99.4 161.64 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.02 155.8 16.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -59.19 -17.5 28.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.733 0.301 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -75.2 -49.05 20.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.61 HE21 HD22 ' A' ' 137' ' ' LEU . 0.5 OUTLIER -69.29 138.06 53.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.454 HG22 ' OD2' ' A' ' 86' ' ' ASP . 13.8 t -131.55 172.42 12.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.49 -48.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -52.04 -60.6 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' A' ' 83' ' ' THR . 22.2 m-20 -51.07 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.8 t -45.49 -59.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.615 ' HG3' HD12 ' A' ' 97' ' ' ILE . 57.8 ttt180 -49.38 -61.46 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -59.71 -22.81 62.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 86' ' ' ASP . 17.4 ttp -86.39 -19.97 28.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.467 ' CE1' HD13 ' A' ' 131' ' ' LEU . 4.1 m-85 -104.33 -11.9 16.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 20.9 mm-40 -63.75 -42.25 70.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -47.97 -14.84 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -118.79 31.15 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 129.71 169.41 12.53 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.7 m -89.24 133.88 34.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.717 0.294 . . . . 0.0 111.19 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.615 HD12 ' HG3' ' A' ' 88' ' ' ARG . 53.0 mt -98.34 118.28 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -43.02 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -139.85 159.39 42.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.6 t -164.82 120.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.8 m -129.31 126.66 39.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -96.32 137.92 22.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD12 ' SG ' ' A' ' 113' ' ' CYS . 55.6 mt -88.89 133.6 34.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -136.99 176.15 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.84 -164.1 37.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.444 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.03 -10.28 17.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -104.3 -43.7 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.24 -28.89 1.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.435 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.4 m -49.1 135.54 16.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t -70.03 117.05 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -56.48 -39.28 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 125.09 38.33 0.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.408 ' SG ' HD12 ' A' ' 103' ' ' LEU . 7.2 p -170.93 146.22 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.43 145.32 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -97.52 117.38 31.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.4 t -103.86 141.59 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.428 ' HE3' ' NE ' ' A' ' 71' ' ' ARG . 24.2 tttp -122.39 115.45 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -88.83 164.88 15.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.17 -37.62 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 121' ' ' HIS . 82.1 p -144.54 136.57 26.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 7.3 t60 -35.86 -48.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 123' ' ' GLU . . . -43.71 -72.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 122' ' ' ALA . 1.0 OUTLIER -37.37 -53.59 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.952 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -41.74 -43.81 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.65 -56.1 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -38.89 -46.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.495 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -58.52 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.783 HD11 HD22 ' A' ' 73' ' ' LEU . 75.6 mt -47.96 -58.42 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' ILE . 24.5 t30 -34.47 -39.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' LEU . 91.1 m -107.54 -72.96 0.7 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.495 HD12 ' HB1' ' A' ' 127' ' ' ALA . 12.0 mt -34.38 -39.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 32.2 t60 -55.46 111.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.6 t 58.5 49.32 10.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 m -99.96 -74.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.403 ' NH1' ' SD ' ' A' ' 90' ' ' MET . 18.5 ptp180 -99.5 171.31 8.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 137' ' ' LEU . 5.6 m -128.39 72.91 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.61 HD22 HE21 ' A' ' 82' ' ' GLN . 43.1 mt -34.84 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.548 0.69 . . . . 0.0 110.964 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.06 126.98 14.15 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.5 45.3 18.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.56 109.08 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.057 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 140' ' ' ALA . 37.8 m -32.17 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.8 t -100.2 -174.98 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.2 m -70.82 176.65 4.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.46 109.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.9 t -82.41 109.98 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 4.1 t -124.87 124.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -156.91 148.26 22.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -42.03 162.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -125.36 107.14 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 151' ' ' THR . 11.5 t0 -88.08 -63.4 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 150' ' ' ASP . 14.5 t -35.42 148.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.73 -48.69 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -143.59 146.75 33.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -79.16 -52.81 7.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 9.6 t -129.49 145.84 51.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -162.42 -145.95 4.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.88 -175.7 2.63 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.405 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.4 p -135.45 153.49 51.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.8 m -162.63 140.61 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.5 m -94.95 156.98 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -174.17 156.8 2.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.57 -163.06 27.16 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.9 m -82.02 151.33 27.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.0 m -111.23 -46.21 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.49 114.08 3.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.1 p -102.16 90.29 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -124.54 103.28 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.22 113.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.89 94.59 5.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 110.926 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.27 113.69 13.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -68.95 -50.19 51.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -45.94 126.04 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.623 HD22 HD11 ' A' ' 128' ' ' ILE . 87.2 mt -111.48 146.73 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -98.92 110.18 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.01 147.74 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.66 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -146.29 -179.25 22.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.419 ' O ' HD12 ' A' ' 137' ' ' LEU . 20.4 mmt 60.67 38.09 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.05 171.54 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.81 169.79 14.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.69 -4.35 45.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.692 0.282 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -96.88 -54.6 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.646 ' NE2' HD13 ' A' ' 137' ' ' LEU . 11.8 mt-30 -45.83 154.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 p -139.86 177.54 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' A' ' 102' ' ' VAL . 0.9 OUTLIER -53.28 -27.37 22.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -69.98 -55.39 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -51.4 -61.48 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 79.8 t -49.27 -40.55 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.481 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 16.0 ttm180 -65.26 -61.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -61.0 -20.99 63.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.8 ttp -87.48 -19.9 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.641 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -101.73 -12.11 18.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 22.8 mt-10 -66.11 -42.14 48.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.8 Cg_exo -47.95 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.517 ' HE2' HD21 ' A' ' 131' ' ' LEU . 61.2 m-85 -118.78 31.18 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 127.27 177.0 14.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -91.63 137.89 32.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.711 0.291 . . . . 0.0 111.187 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.641 HD11 ' HB2' ' A' ' 91' ' ' PHE . 67.2 mt -98.47 126.86 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -89.57 -32.13 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -152.51 160.44 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.4 t -169.99 123.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -140.83 139.1 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.564 HG23 ' OD2' ' A' ' 84' ' ' ASP . 65.4 t -95.82 144.34 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.741 HD11 ' CE2' ' A' ' 115' ' ' PHE . 35.9 mt -98.45 121.48 40.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -124.24 168.7 12.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -92.03 178.51 40.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.8 -43.34 19.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.735 2.29 . . . . 0.0 112.306 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.52 -41.77 88.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 119.92 4.28 11.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.2 m -81.02 138.19 36.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.2 t -54.81 120.47 6.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -72.62 -27.84 62.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 112.85 28.0 3.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -157.96 148.64 20.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -150.06 158.21 43.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.741 ' CE2' HD11 ' A' ' 103' ' ' LEU . 38.3 m-85 -105.85 120.4 41.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 91' ' ' PHE . 74.1 t -114.27 115.11 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -102.96 113.41 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -79.89 174.41 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -73.81 -38.79 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.4 p -142.23 148.64 38.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 11.6 t60 -41.71 -64.04 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -34.48 -59.47 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.33 -47.3 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -55.12 -43.59 74.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -64.99 -39.19 93.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.19 -66.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -39.92 -58.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.623 HD11 HD22 ' A' ' 73' ' ' LEU . 68.9 mt -45.1 -61.77 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 128' ' ' ILE . 3.0 m120 -35.43 -42.53 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 131' ' ' LEU . 18.5 m -100.15 -73.83 0.62 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.517 HD21 ' HE2' ' A' ' 94' ' ' PHE . 11.6 mt -34.4 -66.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 131' ' ' LEU . 56.8 t60 -35.99 110.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.8 t 59.44 47.3 11.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 131' ' ' LEU . 5.4 t -98.93 -75.08 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.829 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -99.96 -175.83 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 137' ' ' LEU . 3.8 m -127.9 74.38 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.77 HD11 HD13 ' A' ' 144' ' ' LEU . 70.6 mt -34.91 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.551 0.691 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 120.69 7.1 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.97 24.71 29.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -128.63 108.07 10.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.49 ' C ' ' O ' ' A' ' 140' ' ' ALA . 21.0 m -31.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.0 m -91.04 -174.99 4.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.9 m -71.34 174.45 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 137' ' ' LEU . 51.0 tp -61.2 137.82 58.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 18.3 t -106.03 118.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.1 t -132.63 107.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -140.95 151.29 44.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -49.05 150.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -97.06 179.9 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -112.01 178.95 4.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 88.2 m -87.24 147.67 25.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -74.71 -51.17 15.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -153.61 162.82 40.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.92 109.08 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 94.4 p -108.37 128.42 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -145.7 -163.89 10.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.07 101.33 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.294 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 m -75.69 146.63 40.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 74.4 m 49.03 42.18 20.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -135.12 153.77 51.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.6 p -108.93 150.14 28.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.55 75.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 91.1 p -47.39 172.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.888 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -151.1 172.39 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.81 103.38 2.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 p -152.47 165.48 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -118.25 -53.86 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.17 46.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -52.23 118.64 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -91.12 165.86 13.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -93.21 -37.61 11.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 15.5 ttmt -49.89 149.43 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' ' 128' ' ' ILE . 86.3 mt -132.19 134.16 45.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -89.79 121.03 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 141.36 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.25 -170.83 12.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.38 38.18 24.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 137' ' ' LEU . 36.5 mt -90.01 163.68 14.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -116.09 163.05 12.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -63.79 -43.76 95.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -50.31 -54.64 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' OE1' ' CG ' ' A' ' 86' ' ' ASP . 43.6 mm-40 -62.23 151.81 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.7 p -137.14 -177.14 4.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -56.69 -30.74 63.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.65 -44.88 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.438 ' CG ' ' OE1' ' A' ' 82' ' ' GLN . 47.5 m-20 -62.27 -73.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.523 HG13 ' CE1' ' A' ' 91' ' ' PHE . 96.1 t -41.84 -34.46 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -66.08 -62.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -66.26 -16.66 64.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.9 ttp -85.71 -23.16 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.523 ' CE1' HG13 ' A' ' 87' ' ' VAL . 3.8 m-85 -99.77 -15.17 18.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 10.2 mt-10 -60.5 -42.19 87.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 63.7 Cg_exo -47.98 -14.87 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 63.8 m-85 -118.83 31.1 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 126.52 154.94 8.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.2 m -76.87 116.86 17.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.299 . . . . 0.0 111.142 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 117' ' ' LYS . 71.2 mt -73.3 127.02 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.25 -27.06 19.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -152.85 149.78 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 43.6 t -158.69 119.21 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.7 m -143.03 129.94 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 76.7 t -87.56 150.49 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 115' ' ' PHE . 39.6 mt -101.35 122.96 44.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -132.01 169.03 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -74.66 -162.17 9.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.24 -22.23 11.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.355 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.49 -42.56 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 140.64 -18.14 2.82 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.4 m -55.64 117.53 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.81 0.338 . . . . 0.0 111.16 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 t -54.66 124.3 15.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -72.22 -32.37 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.53 42.55 0.8 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.2 p -169.05 156.13 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -155.55 154.69 32.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CD1' ' HD3' ' A' ' 72' ' ' LYS . 19.2 m-85 -105.41 113.13 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.2 t -106.53 125.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 97' ' ' ILE . 12.3 tttp -107.87 137.22 46.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.587 ' HB2' ' HB2' ' A' ' 124' ' ' ALA . 23.4 m-85 -106.95 160.33 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -61.69 -28.71 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.9 p -150.33 170.81 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' ALA . 73.3 t60 -68.59 -62.36 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -37.2 -46.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.28 -50.08 67.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.587 ' HB2' ' HB2' ' A' ' 118' ' ' PHE . . . -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.46 HE22 ' ND2' ' A' ' 129' ' ' ASN . 1.5 tm0? -65.62 -40.63 92.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -48.45 -50.24 32.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -53.67 -55.48 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.679 HD11 HD22 ' A' ' 73' ' ' LEU . 82.3 mt -47.43 -58.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.46 ' ND2' HE22 ' A' ' 125' ' ' GLN . 26.1 m120 -35.46 -40.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' LEU . 77.1 m -105.35 -71.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 127' ' ' ALA . 9.9 mt -34.78 -47.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.438 ' ND1' ' O ' ' A' ' 146' ' ' VAL . 15.7 t60 -49.61 118.23 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 t 50.82 47.17 25.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 t -98.51 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.8 176.03 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.9 m -133.38 81.84 1.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 78' ' ' LEU . 37.8 mt -41.03 142.21 0.88 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.74 120.24 4.49 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.51 48.71 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -134.83 106.89 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 140' ' ' ALA . 41.3 t -31.23 -74.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.7 m -98.75 -174.97 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.8 m -74.77 172.44 12.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.65 114.19 1.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 74.8 t -87.05 102.5 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.438 ' O ' ' ND1' ' A' ' 132' ' ' HIS . 37.8 t -115.85 117.45 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 148' ' ' PHE . 6.1 pttm -152.93 138.86 18.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.57 ' HA ' HD23 ' A' ' 73' ' ' LEU . 55.3 m-85 -37.34 152.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -99.44 166.19 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -162.63 115.78 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 38.8 m -127.5 141.73 51.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -116.43 113.83 23.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -110.42 137.6 47.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.488 ' N ' ' CD ' ' A' ' 154' ' ' GLU . 2.4 pm0 -141.2 148.89 40.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 6.9 t -116.05 164.04 15.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -120.66 96.77 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.47 134.42 18.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 53.4 m -154.17 151.93 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.3 m -161.74 173.52 14.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -96.71 83.69 3.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 p -94.63 165.51 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.99 80.78 0.91 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.1 t -87.34 159.98 18.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.91 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 m -71.41 147.48 47.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -123.08 -133.96 4.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 m -88.23 167.26 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.812 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -71.16 114.18 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.16 -86.88 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 57.75 36.07 26.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -112.98 93.32 4.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -52.65 -42.08 64.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -56.69 147.78 21.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 128' ' ' ILE . 29.0 mt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -94.17 117.16 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 t -104.76 138.93 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.73 176.35 19.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.6 mmt 62.08 44.04 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 72.6 mt -100.28 162.94 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -124.88 157.59 19.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.431 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -48.54 -35.94 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -56.57 -45.71 81.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 8.4 mp0 -75.55 132.06 40.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.453 HG23 ' H ' ' A' ' 85' ' ' GLU . 14.2 t -134.51 169.62 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' THR . 18.5 p-10 -36.77 -39.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' H ' HG23 ' A' ' 83' ' ' THR . 6.0 mp0 -63.6 -54.62 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.5 -65.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.7 t -46.85 -50.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.483 ' HA ' HD13 ' A' ' 97' ' ' ILE . 40.3 ttt180 -53.37 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -60.78 -19.86 60.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 30.1 ttp -84.12 -23.19 30.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.639 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.1 m-85 -101.77 -12.61 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 17.8 mt-10 -60.71 -42.22 86.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.76 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.97 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.556 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 65.7 m-85 -118.63 30.93 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 124.25 161.39 11.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.4 m -76.1 132.56 40.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 91' ' ' PHE . 63.8 mt -96.52 125.48 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -94.28 -39.71 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 44.3 tp10 -128.88 152.91 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 44.1 t -170.62 115.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -133.44 135.73 44.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.411 HG13 ' HB2' ' A' ' 114' ' ' ALA . 22.2 t -101.89 126.5 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 115' ' ' PHE . 42.6 mt -82.48 130.68 35.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -141.35 166.15 25.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.75 -148.39 7.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.473 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.11 155.76 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.355 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 108' ' ' GLY . 1.0 OUTLIER 46.19 40.96 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' ASP . . . 36.1 41.07 0.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.6 m -92.9 130.19 38.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -65.39 111.8 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -59.36 -21.43 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 103.41 39.57 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.6 p -163.83 149.65 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.345 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -159.14 154.45 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 103' ' ' LEU . 52.8 m-85 -102.54 133.27 47.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 91' ' ' PHE . 97.0 t -124.56 124.67 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -106.65 145.43 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -115.82 149.7 38.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -49.79 -31.36 11.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.6 p -152.8 142.18 21.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' ALA . 10.0 t60 -42.4 -51.01 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -38.03 -62.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 124' ' ' ALA . 53.0 mm-40 -48.57 -59.02 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.531 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -36.8 -54.58 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -49.05 -58.07 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.57 -63.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -41.62 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 73' ' ' LEU . 96.7 mt -40.6 -64.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 128' ' ' ILE . 9.5 t-20 -34.47 -38.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.0 m -102.49 -71.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.638 HD12 ' HB1' ' A' ' 127' ' ' ALA . 16.4 mt -39.04 -46.34 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 15.0 t60 -45.92 117.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.1 t 45.17 53.05 8.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 88.7 p -96.65 -73.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -99.51 171.94 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.3 m -125.35 87.31 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 63.0 mt -48.55 153.4 1.38 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.576 0.703 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.77 125.29 10.93 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.04 18.41 50.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -122.52 112.12 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 2.2 m -32.72 -76.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 92.4 p -93.37 -176.91 4.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.9 m -76.77 174.23 10.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 24.1 tp -55.02 121.22 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.24 102.68 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.6 t -112.59 122.57 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -151.99 161.82 42.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -60.37 142.47 54.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -88.36 139.14 30.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -157.65 142.02 16.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 151' ' ' THR . 11.0 t -103.33 119.64 39.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.88 174.72 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -105.0 171.94 7.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -106.9 140.74 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 51.9 p -132.84 115.2 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -133.65 90.71 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.13 13.14 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.6 t -52.07 -50.41 61.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.4 m -119.82 -56.0 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -91.84 84.62 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.1 p -62.96 118.64 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.14 101.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.8 p -94.32 97.76 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.903 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.6 m -59.15 122.96 15.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.88 124.78 5.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 t -113.61 -51.54 2.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.868 0.366 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -127.96 115.01 17.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.63 89.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -119.08 59.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -149.95 165.28 33.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mtm-85 -101.25 -29.17 12.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.3 OUTLIER -61.64 142.75 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.906 HD22 HD11 ' A' ' 128' ' ' ILE . 26.7 mt -124.92 138.02 54.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -88.87 123.29 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 146' ' ' VAL . 4.6 t -116.19 145.9 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.413 ' O ' HD12 ' A' ' 144' ' ' LEU . . . -143.18 -178.1 18.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.5 mmt 57.75 35.65 25.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.9 mt -88.63 152.78 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.68 150.28 18.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -40.64 -29.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -67.6 -49.01 65.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.641 ' HG2' HD13 ' A' ' 137' ' ' LEU . 19.4 mp0 -73.6 110.85 8.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -121.27 176.05 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -37.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -66.01 -58.0 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -55.86 -65.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.5 t -39.79 -54.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 25.3 ttt180 -51.83 -60.6 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -62.59 -20.23 64.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.8 ttp -86.83 -23.06 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.621 ' HB2' HD11 ' A' ' 97' ' ' ILE . 4.3 m-85 -99.47 -17.0 18.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 5.7 mm-40 -59.99 -42.15 88.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.0 Cg_exo -48.0 -14.71 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 127' ' ' ALA . 54.1 m-85 -118.7 31.1 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.05 -179.37 16.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 m -95.47 137.65 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 91' ' ' PHE . 64.8 mt -99.36 126.39 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -88.71 -36.74 16.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -137.65 154.72 49.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 44.7 t -159.8 137.3 9.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.1 m -159.7 138.58 10.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 114' ' ' ALA . 41.6 t -109.21 143.25 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 115' ' ' PHE . 45.0 mt -92.19 123.29 35.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -128.88 179.75 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -92.26 -149.79 24.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -76.93 -48.85 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.81 -45.89 80.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.66 32.25 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.6 m -98.83 132.06 44.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.7 t -60.93 96.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -44.46 -39.87 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.17 38.45 0.38 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 8.0 p -169.03 147.69 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.52 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -152.75 156.79 39.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 103' ' ' LEU . 60.2 m-85 -109.36 128.64 55.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 52.3 t -116.68 136.96 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 97' ' ' ILE . 25.6 tttp -118.06 117.06 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 124' ' ' ALA . 14.8 m-85 -89.34 165.49 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -69.02 -34.93 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.9 p -141.64 140.73 33.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -44.52 -38.75 4.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.11 -59.58 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -50.23 -40.99 49.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.657 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -57.9 -40.09 79.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -68.98 -45.51 70.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.0 51.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 94' ' ' PHE . . . -87.33 -50.96 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.906 HD11 HD22 ' A' ' 73' ' ' LEU . 41.8 mt -61.82 -20.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -25.09 38.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 134' ' ' SER . 98.4 m -110.94 -10.88 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 132' ' ' HIS . 14.0 mt -100.52 -59.68 1.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 133' ' ' SER . 63.3 t60 -36.27 126.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 132' ' ' HIS . 5.6 t 33.53 40.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 130' ' ' THR . 46.0 m -100.19 -72.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.407 HH11 ' CB ' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -99.78 161.95 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.0 m -123.02 96.08 4.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.641 HD13 ' HG2' ' A' ' 82' ' ' GLN . 20.6 mt -48.41 141.56 9.05 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.88 113.72 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.333 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 82.32 46.54 6.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -133.83 108.94 8.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 140' ' ' ALA . 3.9 m -32.22 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.1 m -99.62 165.79 11.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.4 m -60.05 161.81 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.595 HD13 HD11 ' A' ' 137' ' ' LEU . 21.2 tp -55.26 116.63 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 40.5 t -86.01 116.96 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.572 HG22 HG13 ' A' ' 75' ' ' VAL . 17.3 t -134.63 131.57 54.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -166.64 156.66 11.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -53.12 123.34 11.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -49.37 124.19 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -88.24 38.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 6.8 t -62.33 -29.98 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -56.01 129.71 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.4 155.46 37.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 58.64 42.02 21.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 48.0 t -135.14 111.23 9.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -138.1 89.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.08 -38.05 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.6 p -59.38 158.72 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.7 p -103.28 -56.49 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -154.5 149.36 26.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.4 t -72.18 122.86 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -50.22 155.85 2.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.9 p -96.07 146.14 24.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.5 m -160.08 162.14 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.78 126.76 4.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 t -48.95 -60.33 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.909 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 70.57 42.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.52 45.58 1.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 38.82 45.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -128.58 156.1 43.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.809 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 72' ' ' LYS . 29.4 mtm-85 -128.74 -49.27 1.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' ARG . 5.9 ttpm? -36.73 152.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.863 HD22 HD11 ' A' ' 128' ' ' ILE . 47.1 mt -136.32 148.0 47.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -99.68 122.26 42.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.6 t -113.5 121.61 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.88 -176.13 16.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.797 ' HG3' HG23 ' A' ' 145' ' ' VAL . 22.3 mmt 61.32 32.95 19.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.8 mt -89.01 161.9 16.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.89 156.62 16.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.71 -51.99 58.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.701 0.286 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.03 -54.01 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -67.91 147.43 52.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -138.84 177.6 7.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' HB3' HG23 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -47.14 -47.73 23.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -52.29 -51.09 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -59.49 -68.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.6 t -41.17 -49.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.84 -58.48 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -63.37 -20.54 65.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttp -86.94 -21.26 26.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -99.27 -15.07 18.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.638 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.6 mt-10 -62.53 -42.14 77.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 65.1 Cg_exo -47.97 -14.64 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.543 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 71.5 m-85 -118.61 31.13 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.42 175.81 14.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.8 m -92.18 134.99 34.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.108 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.494 HD11 ' HB2' ' A' ' 91' ' ' PHE . 48.1 mt -96.96 123.36 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -77.85 -45.42 24.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 100' ' ' CYS . 10.9 tp10 -142.46 155.45 45.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 52.9 t -160.84 131.1 5.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.6 m -147.86 135.84 21.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.179 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 84' ' ' ASP . 64.8 t -98.91 137.44 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 115' ' ' PHE . 41.2 mt -86.81 146.93 26.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 108' ' ' GLY . 60.0 mtm-85 -140.98 168.89 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 111' ' ' LYS . . . -86.26 -149.44 13.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.31 -47.37 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.39 -41.18 98.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.416 ' C ' ' HD2' ' A' ' 104' ' ' ARG . . . 120.1 36.79 0.79 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.0 t -111.53 151.32 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.146 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.6 t -60.38 96.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 105' ' ' GLY . 4.0 mmmm -48.2 -29.38 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.25 28.54 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.489 ' SG ' HD12 ' A' ' 103' ' ' LEU . 22.9 p -158.75 148.38 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.28 157.72 43.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' A' ' 103' ' ' LEU . 23.0 m-85 -113.04 128.89 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.0 t -119.93 129.96 74.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -114.98 105.83 13.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -75.86 151.75 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.92 -35.8 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.0 p -144.52 166.61 24.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' ALA . 8.2 t60 -63.73 -53.47 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.43 -67.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.069 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -48.7 -54.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.451 ' HB1' HD11 ' A' ' 73' ' ' LEU . . . -41.67 -39.14 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -72.97 -38.18 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -53.43 -57.68 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.621 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.69 -65.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.863 HD11 HD22 ' A' ' 73' ' ' LEU . 82.6 mt -42.02 -58.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -39.8 -39.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 131' ' ' LEU . 76.3 m -101.81 -72.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.621 HD12 ' HB1' ' A' ' 127' ' ' ALA . 17.4 mt -35.44 -52.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 11.1 t60 -40.72 118.0 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 25.0 t 51.76 47.69 24.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.6 t -99.1 -73.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -99.69 172.93 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 m -128.21 76.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 50.4 mt -40.47 152.34 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.54 129.51 15.83 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 89.65 16.86 56.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -123.36 111.34 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.4 t -32.44 -75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 65.8 m -95.45 178.04 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 11.5 p -62.29 -177.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 13.9 tp -70.83 131.01 43.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.797 HG23 ' HG3' ' A' ' 77' ' ' MET . 99.3 t -102.64 99.0 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 13.2 t -110.71 124.5 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -153.84 -179.59 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.486 ' HA ' HD23 ' A' ' 73' ' ' LEU . 61.0 m-85 -72.8 154.21 40.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -96.16 121.14 37.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.11 130.21 36.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 69.4 p -88.88 167.37 13.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -157.43 122.31 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -161.52 131.22 4.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -71.28 140.67 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 18.8 m -92.37 170.02 10.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -157.86 95.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.96 -42.74 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 94.3 p -141.53 134.99 29.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 58.0 p -124.91 147.32 48.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 49.33 42.31 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.834 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -115.25 125.36 53.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.33 146.8 18.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.4 t -138.07 124.79 21.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 m -125.97 173.38 9.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.17 81.92 1.39 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -92.01 119.93 32.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.2 ttm-85 -77.14 111.02 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' O ' ' CD1' ' A' ' 148' ' ' PHE . . . 159.22 61.41 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -81.49 99.19 8.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -172.56 128.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -44.14 -51.62 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HE2' ' CG ' ' A' ' 115' ' ' PHE . 35.2 tttt -51.5 121.43 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.673 HD21 ' HB1' ' A' ' 124' ' ' ALA . 44.2 mt -110.79 139.11 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -94.06 113.29 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.6 t -104.17 138.5 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -169.14 11.99 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.1 mmt 53.44 37.61 26.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.9 mt -93.08 158.72 15.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.49 155.32 16.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -56.03 -45.61 79.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -47.21 -63.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.804 HE21 HD22 ' A' ' 137' ' ' LEU . 30.6 mm-40 -45.48 151.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.7 p -132.76 176.88 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.42 -35.67 60.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -64.71 -43.08 94.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.17 -74.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -41.03 -48.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 97' ' ' ILE . 22.4 ttp180 -54.53 -68.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -57.27 -21.64 35.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ttp -83.73 -23.06 31.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.2 m-85 -102.34 -8.71 20.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 46.6 mt-10 -64.74 -42.19 62.08 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.91 -14.5 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.439 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 64.5 m-85 -118.57 31.11 6.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' GLU . . . 125.75 166.16 12.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.0 m -82.47 135.6 35.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 0.0 111.097 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 88' ' ' ARG . 73.6 mt -96.16 119.9 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -84.45 -43.62 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -137.88 140.43 40.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 52.0 t -151.46 124.41 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.2 m -146.63 136.97 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 114' ' ' ALA . 3.3 t -95.49 125.27 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.619 HD11 ' CE2' ' A' ' 115' ' ' PHE . 85.6 mt -65.58 112.52 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -119.55 178.69 4.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.73 -170.51 17.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.32 -64.55 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.286 . . . . 0.0 112.356 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -63.64 -38.74 92.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 119.96 36.99 0.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.3 p -88.67 124.65 34.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.147 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.1 m -60.1 93.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -49.8 -20.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.72 27.27 8.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.36 138.32 18.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.642 ' HB2' HG13 ' A' ' 102' ' ' VAL . . . -140.61 144.59 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.619 ' CE2' HD11 ' A' ' 103' ' ' LEU . 40.1 m-85 -96.56 125.69 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 56.7 t -116.43 119.84 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -106.2 101.93 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -70.43 170.07 12.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.84 -37.14 86.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 69.5 p -146.33 173.71 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 122' ' ' ALA . 12.0 t60 -61.15 -62.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -36.61 -63.62 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -44.85 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.673 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -55.83 -37.97 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.71 -49.59 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.2 -54.84 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.406 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -50.25 -68.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 132' ' ' HIS . 96.3 mt -42.34 -56.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.0 t-20 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 131' ' ' LEU . 28.7 m -104.86 -71.87 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 130' ' ' THR . 11.4 mt -34.4 -57.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.449 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 40.4 t60 -35.18 107.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 t 59.01 50.5 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 131' ' ' LEU . 2.1 t -99.46 -74.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -99.51 177.28 5.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 137' ' ' LEU . 6.0 m -133.96 77.48 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.804 HD22 HE21 ' A' ' 82' ' ' GLN . 60.0 mt -36.92 141.85 0.38 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.52 118.63 3.07 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.373 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.02 53.22 4.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -140.05 110.58 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 140' ' ' ALA . 42.0 m -32.4 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.9 m -100.18 -175.1 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.3 m -71.56 171.95 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.83 108.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 79.3 t -79.6 122.74 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 t -136.81 114.36 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -144.74 -176.91 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 70.0 m-85 -78.23 143.05 37.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.32 140.01 38.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.08 95.24 6.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.2 t -116.61 155.7 28.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -132.62 161.78 33.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -121.39 139.46 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -40.62 101.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 68.3 m -104.86 159.59 15.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 127.14 -95.76 0.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.31 122.75 6.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.642 2.228 . . . . 0.0 112.347 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.4 m -136.54 112.39 9.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -69.36 148.3 49.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.4 p -98.33 108.07 20.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.1 p -126.27 106.12 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 155.95 146.93 4.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 t -74.8 149.54 39.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 55.3 p -167.64 128.11 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.46 123.37 4.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.9 p -158.07 170.43 22.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -59.1 -53.44 58.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.23 107.18 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -109.63 122.41 47.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 41.14 50.69 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -53.05 -58.99 5.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' HD3' ' CD1' ' A' ' 115' ' ' PHE . 0.4 OUTLIER -40.1 143.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 128' ' ' ILE . 75.0 mt -127.64 138.43 52.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -90.19 108.78 19.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -99.16 131.32 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.25 -178.03 15.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.7 mmt 60.26 41.89 15.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD23 ' CD1' ' A' ' 137' ' ' LEU . 31.4 mt -98.71 163.43 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.68 157.53 20.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.73 -45.23 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.761 0.315 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -43.59 -52.15 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -76.04 144.82 40.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -133.49 172.22 13.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -43.35 -39.51 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -57.18 -48.34 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -62.95 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.19 -58.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HA ' ' CD1' ' A' ' 97' ' ' ILE . 35.6 ttt180 -48.26 -62.02 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -59.35 -22.22 60.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.0 ttp -85.9 -20.6 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.539 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.6 m-85 -101.66 -12.82 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 53.8 mm-40 -63.48 -42.18 71.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.5 Cg_exo -47.96 -14.53 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.45 ' CE2' ' HG ' ' A' ' 131' ' ' LEU . 67.4 m-85 -118.67 31.09 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.23 176.66 14.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 98.6 m -91.53 140.76 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 111.1 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 91' ' ' PHE . 95.0 mt -100.05 134.09 40.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -96.38 -43.36 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -137.32 147.29 45.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 t -160.8 138.64 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.2 m -163.08 142.05 8.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.28 146.99 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.638 HD11 ' CE2' ' A' ' 115' ' ' PHE . 25.4 mt -100.87 132.29 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -127.37 171.55 11.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -97.76 -175.99 33.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.81 -63.92 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.74 -51.68 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 129.1 30.66 0.67 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 90.5 m -101.76 144.93 29.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' LYS . 29.5 t -63.87 93.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' SER . 9.3 mmtp -37.47 -40.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.4 28.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -161.29 153.52 19.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -148.05 162.48 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.638 ' CE2' HD11 ' A' ' 103' ' ' LEU . 18.1 m-85 -108.13 122.86 47.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.6 t -119.21 128.16 75.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -116.27 126.01 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -92.11 166.91 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -72.41 -39.76 67.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.7 p -135.39 139.36 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 122' ' ' ALA . 19.3 t60 -40.86 -57.51 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.77 -66.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -46.54 -53.06 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.3 -50.05 12.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.475 ' O ' ' NE2' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -62.23 -47.37 84.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -46.95 -50.92 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -53.83 -59.25 4.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.77 HD11 HD22 ' A' ' 73' ' ' LEU . 63.4 mt -51.86 -52.58 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.8 t30 -35.04 -41.23 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 131' ' ' LEU . 64.1 m -105.86 -67.77 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.641 HD12 ' HB1' ' A' ' 127' ' ' ALA . 25.7 mt -36.95 -50.84 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.54 ' HB2' HG23 ' A' ' 128' ' ' ILE . 46.5 t60 -41.42 113.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.4 m 52.06 46.08 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.8 t -95.43 -74.77 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -99.95 176.03 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 137' ' ' LEU . 22.6 m -131.55 82.08 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.688 ' CD1' HD23 ' A' ' 78' ' ' LEU . 51.1 mt -36.33 142.71 0.32 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.641 0.734 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.3 117.2 2.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.28 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 77.0 52.29 5.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -137.59 109.25 7.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 140' ' ' ALA . 48.2 t -31.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 t -100.05 172.76 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.1 m -62.72 -179.81 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.65 97.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.93 97.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.696 HG12 HG12 ' A' ' 128' ' ' ILE . 22.1 t -108.25 113.41 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -149.7 154.12 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -58.42 131.65 51.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -49.13 163.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -107.61 -62.5 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 57.2 p -53.94 164.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -139.21 155.67 47.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -118.57 83.4 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -79.48 130.56 35.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 81.0 p -105.66 121.52 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 98.89 143.72 15.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.22 107.77 2.25 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.8 t -124.71 -50.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 77.5 p -63.82 138.26 58.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.1 m -139.07 154.93 48.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 p -83.1 174.66 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 166.06 156.95 9.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.4 m -153.76 153.84 32.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.4 t -106.04 89.66 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.45 112.89 3.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -111.92 162.12 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.923 0.392 . . . . 0.0 110.802 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -89.97 143.72 26.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.8 74.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -48.57 -57.24 6.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -54.76 145.3 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' LYS . 33.6 mtt180 -127.43 -53.04 1.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' ARG . 11.5 ttpt -34.9 137.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.562 HD21 ' HB1' ' A' ' 124' ' ' ALA . 67.9 mt -121.21 143.1 49.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -101.5 112.09 24.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.23 149.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.91 178.43 21.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.0 mmt 61.31 45.89 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 137' ' ' LEU . 46.1 mt -99.77 167.81 10.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.85 156.88 16.03 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' GLN . 3.9 tppp? -55.34 -53.26 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 80' ' ' LYS . 4.2 mp0 -35.78 -65.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.41 HE21 HD22 ' A' ' 137' ' ' LEU . 40.0 mm-40 -50.69 154.3 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.422 HG23 ' HB3' ' A' ' 85' ' ' GLU . 7.1 t -137.19 168.53 19.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' CG ' HG23 ' A' ' 102' ' ' VAL . 2.4 m-20 -47.27 -26.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HB3' HG23 ' A' ' 83' ' ' THR . 20.0 tt0 -72.49 -44.37 62.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.18 -61.96 2.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.38 -54.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.17 -66.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -59.48 -20.54 56.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.7 ttp -83.06 -23.24 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.462 ' HB2' HD11 ' A' ' 97' ' ' ILE . 3.1 m-85 -105.24 -4.69 21.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.636 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 9.5 mt-10 -67.64 -42.23 34.58 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 64.7 Cg_exo -47.94 -14.52 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -118.61 31.26 6.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 125.2 171.48 13.28 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.7 m -91.13 136.7 32.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 117' ' ' LYS . 57.0 mt -98.83 136.11 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -95.27 -31.68 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -150.01 164.26 35.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.6 t -171.92 136.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.1 m -153.8 130.34 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.47 HG23 ' CG ' ' A' ' 84' ' ' ASP . 59.8 t -89.08 121.86 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 115' ' ' PHE . 80.1 mt -67.67 137.82 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.7 mtt85 -142.17 170.51 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -83.36 -150.32 9.78 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.67 -47.11 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -65.12 -50.63 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 133.74 37.97 0.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.6 t -104.46 135.08 46.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.0 p -67.32 99.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -53.01 -24.59 9.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.66 24.29 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 1.8 m -145.72 156.8 43.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 102' ' ' VAL . . . -160.09 154.12 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 103' ' ' LEU . 42.5 m-85 -101.87 126.8 48.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.2 t -116.2 120.65 65.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.167 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 97' ' ' ILE . 18.9 ttpp -102.48 112.03 24.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -85.23 163.94 18.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -67.32 -36.42 81.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.7 p -147.78 163.12 37.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 122' ' ' ALA . 24.6 t60 -60.05 -56.77 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 121' ' ' HIS . . . -35.13 -51.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 13.0 mm-40 -62.13 -54.71 37.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.562 ' HB1' HD21 ' A' ' 73' ' ' LEU . . . -43.15 -49.58 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.62 84.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 123' ' ' GLU . . . -51.06 -55.32 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.467 ' HB1' HD12 ' A' ' 131' ' ' LEU . . . -52.75 -68.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.577 HD12 ' CE1' ' A' ' 148' ' ' PHE . 20.0 mt -40.48 -55.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -38.87 -39.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 131' ' ' LEU . 53.8 m -108.13 -69.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.467 HD12 ' HB1' ' A' ' 127' ' ' ALA . 9.6 mt -36.14 -51.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' ILE . 26.9 t60 -39.79 116.51 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.8 t 45.67 52.03 9.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 t -99.58 -74.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -99.97 174.66 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.7 m -134.21 87.62 2.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 78' ' ' LEU . 32.9 mt -46.25 142.88 3.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.571 0.7 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.35 117.23 2.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.39 54.64 3.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.478 ' O ' ' C ' ' A' ' 141' ' ' SER . . . -139.73 110.0 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 111.083 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 140' ' ' ALA . 40.5 t -32.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -99.45 -175.35 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.1 m -74.28 179.98 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.8 tp -65.77 93.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.1 t -70.23 118.08 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.525 HG12 HG12 ' A' ' 128' ' ' ILE . 9.6 t -130.04 121.73 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -145.47 -179.31 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.577 ' CE1' HD12 ' A' ' 128' ' ' ILE . 67.9 m-85 -84.15 152.41 24.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -101.98 88.61 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -132.4 81.5 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.2 t -94.91 144.93 25.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.67 131.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -100.25 106.68 18.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.17 141.92 57.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' SER . . . . . . . . . . . . . 27.6 t -89.04 -58.39 2.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 86.07 95.69 0.8 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.529 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -45.01 149.23 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.9 t -70.22 85.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.5 t -167.45 160.72 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 179.997 . . . . . . . . 0 0 . 1 stop_ save_